N-[8-(4-aminobutylamino)-7-[(4-aminobutylamino)methyl]octyl]-4-methylheptanamide

C25H55N5O — CID 89060292

IUPACN-[8-(4-aminobutylamino)-7-[(4-aminobutylamino)methyl]octyl]-4-methylheptanamide
SMILESCCCC(C)CCC(=O)NCCCCCCC(CNCCCCN)CNCCCCN
InChIInChI=1S/C25H55N5O/c1-3-12-23(2)14-15-25(31)30-20-9-5-4-6-13-24(21-28-18-10-7-16-26)22-29-19-11-8-17-27/h23-24,28-29H,3-22,26-27H2,1-2H3,(H,30,31)
InChIKeyRBAYSIDSHMFBGE-UHFFFAOYSA-N
MW441.75 g/mol
LogP3.54
Rot. Bonds24

About N-[8-(4-aminobutylamino)-7-[(4-aminobutylamino)methyl]octyl]-4-methylheptanamide

N-[8-(4-aminobutylamino)-7-[(4-aminobutylamino)methyl]octyl]-4-methylheptanamide (PubChem CID 89060292) has the molecular formula C25H55N5O and a molecular weight of 441.75 g/mol. Its IUPAC name is N-[8-(4-aminobutylamino)-7-[(4-aminobutylamino)methyl]octyl]-4-methylheptanamide.

Molecular Properties

Compound NameN-[8-(4-aminobutylamino)-7-[(4-aminobutylamino)methyl]octyl]-4-methylheptanamide
PubChem CID89060292
Molecular FormulaC25H55N5O
Molecular Weight441.75 g/mol
Exact Mass441.44
IUPAC NameN-[8-(4-aminobutylamino)-7-[(4-aminobutylamino)methyl]octyl]-4-methylheptanamide
SMILESCCCC(C)CCC(=O)NCCCCCCC(CNCCCCN)CNCCCCN
InChIInChI=1S/C25H55N5O/c1-3-12-23(2)14-15-25(31)30-20-9-5-4-6-13-24(21-28-18-10-7-16-26)22-29-19-11-8-17-27/h23-24,28-29H,3-22,26-27H2,1-2H3,(H,30,31)
InChIKeyRBAYSIDSHMFBGE-UHFFFAOYSA-N
XLogP3.54
TPSA105.20 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.75
LogP ≤ 53.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[8-(4-aminobutylamino)-7-[(4-aminobutylamino)methyl]octyl]-24-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanoyl]amino]tetracosanamide
CID 91502767
N-hexyl-N'-(7-methyldecyl)pentanediamide
CID 167061111
N-[8-(4-aminobutylamino)-7-[(4-aminobutylamino)methyl]octyl]-2-[3-(2-propoxyethoxy)propanoylamino]tetracosanamide;methane
CID 161132989
N-[8-[4-(3-aminopropylamino)butylamino]-7-[[4-(3-aminopropylamino)butylamino]methyl]octyl]-18-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]octadecanamide;methane
CID 160890981
N-(4-aminobutyl)-4-hydroxypentanamide
CID 79203295
N-(4-aminobutyl)tetracosanamide
CID 171117181
N-(6-aminohexyl)dodecanamide
CID 13030555
N-(9-aminononyl)nonanamide
CID 154091260
4,7-bis[3-oxo-3-(tetradecylamino)propyl]-N,N'-di(tetradecyl)decanediamide;N,N'-di(tetradecyl)decanediamide;4-[3-oxo-3-(tetradecylamino)propyl]-N,N'-di(tetradecyl)decanediamide;4-propyl-N,N'-di(tetradecyl)heptanediamide;N-tetradecylheptanamide
CID 123155920
5-amino-N-dodecylpentanamide;hydrochloride
CID 135363918
6-amino-N-pentylhexanamide;hydrochloride
CID 51041459
4-methyl-N-tridecylhexanamide
CID 89162842

Frequently Asked Questions

What is the IUPAC name of N-[8-(4-aminobutylamino)-7-[(4-aminobutylamino)methyl]octyl]-4-methylheptanamide?
The IUPAC name of N-[8-(4-aminobutylamino)-7-[(4-aminobutylamino)methyl]octyl]-4-methylheptanamide (CID 89060292) is N-[8-(4-aminobutylamino)-7-[(4-aminobutylamino)methyl]octyl]-4-methylheptanamide.
What is the SMILES notation for N-[8-(4-aminobutylamino)-7-[(4-aminobutylamino)methyl]octyl]-4-methylheptanamide?
The canonical SMILES for N-[8-(4-aminobutylamino)-7-[(4-aminobutylamino)methyl]octyl]-4-methylheptanamide is CCCC(C)CCC(=O)NCCCCCCC(CNCCCCN)CNCCCCN.
What is the InChIKey of N-[8-(4-aminobutylamino)-7-[(4-aminobutylamino)methyl]octyl]-4-methylheptanamide?
The InChIKey is RBAYSIDSHMFBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H55N5O/c1-3-12-23(2)14-15-25(31)30-20-9-5-4-6-13-24(21-28-18-10-7-16-26)22-29-19-11-8-17-27/h23-24,28-29H,3-22,26-27H2,1-2H3,(H,30,31).
What are the key properties of N-[8-(4-aminobutylamino)-7-[(4-aminobutylamino)methyl]octyl]-4-methylheptanamide?
N-[8-(4-aminobutylamino)-7-[(4-aminobutylamino)methyl]octyl]-4-methylheptanamide has a molecular weight of 441.75 g/mol, XLogP of 3.54, 24 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(4-aminobutylamino)-7-[(4-aminobutylamino)methyl]octyl]-4-methylheptanamide is sourced from PubChem (CID 89060292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).