N-(cyclopentylmethyl)-N'-methyl-N'-pentylethane-1,2-diamine

C14H30N2 — CID 62561686

IUPACN-(cyclopentylmethyl)-N'-methyl-N'-pentylethane-1,2-diamine
SMILESCCCCCN(C)CCNCC1CCCC1
InChIInChI=1S/C14H30N2/c1-3-4-7-11-16(2)12-10-15-13-14-8-5-6-9-14/h14-15H,3-13H2,1-2H3
InChIKeySUEJPDWOYKEXAR-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds9

About N-(cyclopentylmethyl)-N'-methyl-N'-pentylethane-1,2-diamine

N-(cyclopentylmethyl)-N'-methyl-N'-pentylethane-1,2-diamine (PubChem CID 62561686) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N'-methyl-N'-pentylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N'-methyl-N'-pentylethane-1,2-diamine
PubChem CID62561686
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-(cyclopentylmethyl)-N'-methyl-N'-pentylethane-1,2-diamine
SMILESCCCCCN(C)CCNCC1CCCC1
InChIInChI=1S/C14H30N2/c1-3-4-7-11-16(2)12-10-15-13-14-8-5-6-9-14/h14-15H,3-13H2,1-2H3
InChIKeySUEJPDWOYKEXAR-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dibutyl-N-(cyclopentylmethyl)ethane-1,2-diamine
CID 63503881
N-(cyclohexylmethyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
CID 63504271
N-(cyclopentylmethyl)decan-1-amine
CID 63489737
N'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 61447834
N-cyclohexyl-N'-methyl-N'-pentylethane-1,2-diamine
CID 62574766
N-(cyclobutylmethyl)heptan-1-amine
CID 43298237
N-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 62557751
N-(cyclohexylmethyl)-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79858955
N-(cyclopentylmethyl)-2-heptoxyethanamine
CID 62598497
N'-decyl-N-ethyl-N'-methylethane-1,2-diamine
CID 63526975
N-(2-butoxyethyl)-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 55248291
N-(cyclopropylmethyl)pentan-1-amine
CID 28566810

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N'-methyl-N'-pentylethane-1,2-diamine?
The IUPAC name of N-(cyclopentylmethyl)-N'-methyl-N'-pentylethane-1,2-diamine (CID 62561686) is N-(cyclopentylmethyl)-N'-methyl-N'-pentylethane-1,2-diamine.
What is the SMILES notation for N-(cyclopentylmethyl)-N'-methyl-N'-pentylethane-1,2-diamine?
The canonical SMILES for N-(cyclopentylmethyl)-N'-methyl-N'-pentylethane-1,2-diamine is CCCCCN(C)CCNCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-N'-methyl-N'-pentylethane-1,2-diamine?
The InChIKey is SUEJPDWOYKEXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-3-4-7-11-16(2)12-10-15-13-14-8-5-6-9-14/h14-15H,3-13H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-N'-methyl-N'-pentylethane-1,2-diamine?
N-(cyclopentylmethyl)-N'-methyl-N'-pentylethane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N'-methyl-N'-pentylethane-1,2-diamine is sourced from PubChem (CID 62561686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).