N-butyl-N-decyldecan-1-amine;N-decyl-N-(4-piperazin-1-ylpent-4-enyl)decan-1-amine;formaldehyde;methane

C58H128N4O — CID 177193839

IUPACN-butyl-N-decyldecan-1-amine;N-decyl-N-(4-piperazin-1-ylpent-4-enyl)decan-1-amine;formaldehyde;methane
SMILESC.C.C.C.C=C(CCCN(CCCCCCCCCC)CCCCCCCCCC)N1CCNCC1.C=O.CCCCCCCCCCN(CCCC)CCCCCCCCCC
InChIInChI=1S/C29H59N3.C24H51N.CH2O.4CH4/c1-4-6-8-10-12-14-16-18-24-31(25-19-17-15-13-11-9-7-5-2)26-20-21-29(3)32-27-22-30-23-28-32;1-4-7-10-12-14-16-18-20-23-25(22-9-6-3)24-21-19-17-15-13-11-8-5-2;1-2;;;;/h30H,3-28H2,1-2H3;4-24H2,1-3H3;1H2;4*1H4
InChIKeyJXGYIEHELHFOCV-UHFFFAOYSA-N
MW897.69 g/mol
LogP18.50
Rot. Bonds44

About N-butyl-N-decyldecan-1-amine;N-decyl-N-(4-piperazin-1-ylpent-4-enyl)decan-1-amine;formaldehyde;methane

N-butyl-N-decyldecan-1-amine;N-decyl-N-(4-piperazin-1-ylpent-4-enyl)decan-1-amine;formaldehyde;methane (PubChem CID 177193839) has the molecular formula C58H128N4O and a molecular weight of 897.69 g/mol. Its IUPAC name is N-butyl-N-decyldecan-1-amine;N-decyl-N-(4-piperazin-1-ylpent-4-enyl)decan-1-amine;formaldehyde;methane.

Molecular Properties

Compound NameN-butyl-N-decyldecan-1-amine;N-decyl-N-(4-piperazin-1-ylpent-4-enyl)decan-1-amine;formaldehyde;methane
PubChem CID177193839
Molecular FormulaC58H128N4O
Molecular Weight897.69 g/mol
Exact Mass897.01
IUPAC NameN-butyl-N-decyldecan-1-amine;N-decyl-N-(4-piperazin-1-ylpent-4-enyl)decan-1-amine;formaldehyde;methane
SMILESC.C.C.C.C=C(CCCN(CCCCCCCCCC)CCCCCCCCCC)N1CCNCC1.C=O.CCCCCCCCCCN(CCCC)CCCCCCCCCC
InChIInChI=1S/C29H59N3.C24H51N.CH2O.4CH4/c1-4-6-8-10-12-14-16-18-24-31(25-19-17-15-13-11-9-7-5-2)26-20-21-29(3)32-27-22-30-23-28-32;1-4-7-10-12-14-16-18-20-23-25(22-9-6-3)24-21-19-17-15-13-11-8-5-2;1-2;;;;/h30H,3-28H2,1-2H3;4-24H2,1-3H3;1H2;4*1H4
InChIKeyJXGYIEHELHFOCV-UHFFFAOYSA-N
XLogP18.50
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds44
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.69
LogP ≤ 518.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-N-decyldecan-1-amine;N-decyl-N-(4-piperazin-1-ylpent-4-enyl)decan-1-amine;formaldehyde;methane with MolForge

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Launch Full Analysis

Related Compounds

1-tridec-1-en-2-ylpiperazine
CID 142217059
N,N-dimethyldecan-1-amine;piperazine-1-carboxylic acid
CID 162263600
formic acid;2-[nonyl-[2-[nonyl(octyl)amino]ethyl]amino]-1-piperazin-1-ylethanone
CID 168924589
1-piperazin-1-ylpentadecan-1-one
CID 126705881
N'-(2-piperazin-1-ylethyl)-N,N'-di(tetradecyl)-N-tridecylethane-1,2-diamine
CID 171538757
3-(dipropylamino)-1-piperazin-1-ylpropan-1-one
CID 39255849
N,N-dibutylpentadecan-1-amine
CID 4175227
N-butyl-N-undecyldodecan-1-amine
CID 168880724
N-butyl-N-dodecyldodecan-1-amine;ethane
CID 177188855
5-(dioctylamino)-2-methylidenepentanoic acid
CID 22725816
2-[6-[(7-carboxy-7-hexylpentadecyl)-(2-piperazin-1-ylethyl)amino]hexyl]-2-hexyldecanoic acid
CID 175937845
pentyl 4-[decyl-[4-[4-[4-[decyl-(4-oxo-4-pentoxybutyl)amino]butanoyl]piperazin-1-yl]-4-oxobutyl]amino]butanoate
CID 142498838

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-decyldecan-1-amine;N-decyl-N-(4-piperazin-1-ylpent-4-enyl)decan-1-amine;formaldehyde;methane?
The IUPAC name of N-butyl-N-decyldecan-1-amine;N-decyl-N-(4-piperazin-1-ylpent-4-enyl)decan-1-amine;formaldehyde;methane (CID 177193839) is N-butyl-N-decyldecan-1-amine;N-decyl-N-(4-piperazin-1-ylpent-4-enyl)decan-1-amine;formaldehyde;methane.
What is the SMILES notation for N-butyl-N-decyldecan-1-amine;N-decyl-N-(4-piperazin-1-ylpent-4-enyl)decan-1-amine;formaldehyde;methane?
The canonical SMILES for N-butyl-N-decyldecan-1-amine;N-decyl-N-(4-piperazin-1-ylpent-4-enyl)decan-1-amine;formaldehyde;methane is C.C.C.C.C=C(CCCN(CCCCCCCCCC)CCCCCCCCCC)N1CCNCC1.C=O.CCCCCCCCCCN(CCCC)CCCCCCCCCC.
What is the InChIKey of N-butyl-N-decyldecan-1-amine;N-decyl-N-(4-piperazin-1-ylpent-4-enyl)decan-1-amine;formaldehyde;methane?
The InChIKey is JXGYIEHELHFOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H59N3.C24H51N.CH2O.4CH4/c1-4-6-8-10-12-14-16-18-24-31(25-19-17-15-13-11-9-7-5-2)26-20-21-29(3)32-27-22-30-23-28-32;1-4-7-10-12-14-16-18-20-23-25(22-9-6-3)24-21-19-17-15-13-11-8-5-2;1-2;;;;/h30H,3-28H2,1-2H3;4-24H2,1-3H3;1H2;4*1H4.
What are the key properties of N-butyl-N-decyldecan-1-amine;N-decyl-N-(4-piperazin-1-ylpent-4-enyl)decan-1-amine;formaldehyde;methane?
N-butyl-N-decyldecan-1-amine;N-decyl-N-(4-piperazin-1-ylpent-4-enyl)decan-1-amine;formaldehyde;methane has a molecular weight of 897.69 g/mol, XLogP of 18.50, 44 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-decyldecan-1-amine;N-decyl-N-(4-piperazin-1-ylpent-4-enyl)decan-1-amine;formaldehyde;methane is sourced from PubChem (CID 177193839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).