N-[2-[4-[2-[methyl(pentyl)amino]ethyl]piperazin-1-yl]ethyl]heptan-1-amine

C21H46N4 — CID 143882413

IUPACN-[2-[4-[2-[methyl(pentyl)amino]ethyl]piperazin-1-yl]ethyl]heptan-1-amine
SMILESCCCCCCCNCCN1CCN(CCN(C)CCCCC)CC1
InChIInChI=1S/C21H46N4/c1-4-6-8-9-10-12-22-13-15-24-18-20-25(21-19-24)17-16-23(3)14-11-7-5-2/h22H,4-21H2,1-3H3
InChIKeySVRFTIBUENVQNN-UHFFFAOYSA-N
MW354.63 g/mol
LogP3.29
Rot. Bonds16

About N-[2-[4-[2-[methyl(pentyl)amino]ethyl]piperazin-1-yl]ethyl]heptan-1-amine

N-[2-[4-[2-[methyl(pentyl)amino]ethyl]piperazin-1-yl]ethyl]heptan-1-amine (PubChem CID 143882413) has the molecular formula C21H46N4 and a molecular weight of 354.63 g/mol. Its IUPAC name is N-[2-[4-[2-[methyl(pentyl)amino]ethyl]piperazin-1-yl]ethyl]heptan-1-amine.

Molecular Properties

Compound NameN-[2-[4-[2-[methyl(pentyl)amino]ethyl]piperazin-1-yl]ethyl]heptan-1-amine
PubChem CID143882413
Molecular FormulaC21H46N4
Molecular Weight354.63 g/mol
Exact Mass354.37
IUPAC NameN-[2-[4-[2-[methyl(pentyl)amino]ethyl]piperazin-1-yl]ethyl]heptan-1-amine
SMILESCCCCCCCNCCN1CCN(CCN(C)CCCCC)CC1
InChIInChI=1S/C21H46N4/c1-4-6-8-9-10-12-22-13-15-24-18-20-25(21-19-24)17-16-23(3)14-11-7-5-2/h22H,4-21H2,1-3H3
InChIKeySVRFTIBUENVQNN-UHFFFAOYSA-N
XLogP3.29
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]pentan-1-amine
CID 62889239
N'-butyl-N'-methyl-N-pentylbutane-1,4-diamine
CID 170176029
N'-dodecyl-N-[2-[4-[2-[dodecyl(ethyl)amino]ethyl]piperazin-1-yl]ethyl]-N'-undecylethane-1,2-diamine
CID 156799393
N-[2-(azepan-1-yl)ethyl]hexan-1-amine
CID 61239608
N-(2-pyrrolidin-1-ylethyl)pentan-1-amine
CID 28654194
N-methyl-N-(2-piperazin-1-ylethyl)nonan-1-amine
CID 63265554
N'-decyl-N'-[2-[2-(4-methylpiperazin-1-yl)ethylamino]ethyl]ethane-1,2-diamine
CID 59630651
N-(2-piperazin-1-ylethyl)octan-1-amine
CID 115568684
N-(2-piperazin-1-ylethyl)tetradecan-1-amine
CID 22706682
N'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63725666
4-[2-(nonylamino)ethyl]piperazine-1-carboxylic acid
CID 135379535
N-hexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 62574097

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-[methyl(pentyl)amino]ethyl]piperazin-1-yl]ethyl]heptan-1-amine?
The IUPAC name of N-[2-[4-[2-[methyl(pentyl)amino]ethyl]piperazin-1-yl]ethyl]heptan-1-amine (CID 143882413) is N-[2-[4-[2-[methyl(pentyl)amino]ethyl]piperazin-1-yl]ethyl]heptan-1-amine.
What is the SMILES notation for N-[2-[4-[2-[methyl(pentyl)amino]ethyl]piperazin-1-yl]ethyl]heptan-1-amine?
The canonical SMILES for N-[2-[4-[2-[methyl(pentyl)amino]ethyl]piperazin-1-yl]ethyl]heptan-1-amine is CCCCCCCNCCN1CCN(CCN(C)CCCCC)CC1.
What is the InChIKey of N-[2-[4-[2-[methyl(pentyl)amino]ethyl]piperazin-1-yl]ethyl]heptan-1-amine?
The InChIKey is SVRFTIBUENVQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46N4/c1-4-6-8-9-10-12-22-13-15-24-18-20-25(21-19-24)17-16-23(3)14-11-7-5-2/h22H,4-21H2,1-3H3.
What are the key properties of N-[2-[4-[2-[methyl(pentyl)amino]ethyl]piperazin-1-yl]ethyl]heptan-1-amine?
N-[2-[4-[2-[methyl(pentyl)amino]ethyl]piperazin-1-yl]ethyl]heptan-1-amine has a molecular weight of 354.63 g/mol, XLogP of 3.29, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-[methyl(pentyl)amino]ethyl]piperazin-1-yl]ethyl]heptan-1-amine is sourced from PubChem (CID 143882413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).