N-[(2-methylpyrrolidin-3-yl)methyl]octan-1-amine

C14H30N2 — CID 115568782

IUPACN-[(2-methylpyrrolidin-3-yl)methyl]octan-1-amine
SMILESCCCCCCCCNCC1CCNC1C
InChIInChI=1S/C14H30N2/c1-3-4-5-6-7-8-10-15-12-14-9-11-16-13(14)2/h13-16H,3-12H2,1-2H3
InChIKeyRRPZMJWHNHZAHT-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.93
Rot. Bonds9

About N-[(2-methylpyrrolidin-3-yl)methyl]octan-1-amine

N-[(2-methylpyrrolidin-3-yl)methyl]octan-1-amine (PubChem CID 115568782) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-[(2-methylpyrrolidin-3-yl)methyl]octan-1-amine.

Molecular Properties

Compound NameN-[(2-methylpyrrolidin-3-yl)methyl]octan-1-amine
PubChem CID115568782
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-[(2-methylpyrrolidin-3-yl)methyl]octan-1-amine
SMILESCCCCCCCCNCC1CCNC1C
InChIInChI=1S/C14H30N2/c1-3-4-5-6-7-8-10-15-12-14-9-11-16-13(14)2/h13-16H,3-12H2,1-2H3
InChIKeyRRPZMJWHNHZAHT-UHFFFAOYSA-N
XLogP2.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]hexan-1-amine
CID 115326087
N-[(4-methylcyclohexyl)methyl]decan-1-amine
CID 63490905
N-ethyl-N'-[[2-[(heptylamino)methyl]cyclopropyl]methyl]butane-1,4-diamine
CID 71166362
N-(piperidin-4-ylmethyl)pentadecan-1-amine;dihydrochloride
CID 11696932
N-(azepan-2-ylmethyl)octan-1-amine
CID 115568709
N'-[[2-[[4-(decylamino)butylamino]methyl]cyclopropyl]methyl]-N-ethylbutane-1,4-diamine
CID 69170913
N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
N-(cyclopentylmethyl)decan-1-amine
CID 63489737
N-(cyclobutylmethyl)heptan-1-amine
CID 43298237
N-(azetidin-3-ylmethyl)hexan-1-amine
CID 175786912
N-[(4-ethylcyclohexyl)methyl]decan-1-amine
CID 63492900
N-methyl-N'-[[(2S)-2-[[4-(pentylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine
CID 145475457

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrrolidin-3-yl)methyl]octan-1-amine?
The IUPAC name of N-[(2-methylpyrrolidin-3-yl)methyl]octan-1-amine (CID 115568782) is N-[(2-methylpyrrolidin-3-yl)methyl]octan-1-amine.
What is the SMILES notation for N-[(2-methylpyrrolidin-3-yl)methyl]octan-1-amine?
The canonical SMILES for N-[(2-methylpyrrolidin-3-yl)methyl]octan-1-amine is CCCCCCCCNCC1CCNC1C.
What is the InChIKey of N-[(2-methylpyrrolidin-3-yl)methyl]octan-1-amine?
The InChIKey is RRPZMJWHNHZAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-3-4-5-6-7-8-10-15-12-14-9-11-16-13(14)2/h13-16H,3-12H2,1-2H3.
What are the key properties of N-[(2-methylpyrrolidin-3-yl)methyl]octan-1-amine?
N-[(2-methylpyrrolidin-3-yl)methyl]octan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrrolidin-3-yl)methyl]octan-1-amine is sourced from PubChem (CID 115568782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).