N-[(1-hexylpyrrolidin-2-yl)methyl]cyclopropanamine

C14H28N2 — CID 62581263

IUPACN-[(1-hexylpyrrolidin-2-yl)methyl]cyclopropanamine
SMILESCCCCCCN1CCCC1CNC1CC1
InChIInChI=1S/C14H28N2/c1-2-3-4-5-10-16-11-6-7-14(16)12-15-13-8-9-13/h13-15H,2-12H2,1H3
InChIKeyPMFQPGAYOQGYHE-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.78
Rot. Bonds8

About N-[(1-hexylpyrrolidin-2-yl)methyl]cyclopropanamine

N-[(1-hexylpyrrolidin-2-yl)methyl]cyclopropanamine (PubChem CID 62581263) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[(1-hexylpyrrolidin-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-hexylpyrrolidin-2-yl)methyl]cyclopropanamine
PubChem CID62581263
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-[(1-hexylpyrrolidin-2-yl)methyl]cyclopropanamine
SMILESCCCCCCN1CCCC1CNC1CC1
InChIInChI=1S/C14H28N2/c1-2-3-4-5-10-16-11-6-7-14(16)12-15-13-8-9-13/h13-15H,2-12H2,1H3
InChIKeyPMFQPGAYOQGYHE-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.78
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

2-ethyl-1-undecylpyrrolidine
CID 171569857
N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
CID 63527668
N-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 80695736
(1-nonylpyrrolidin-2-yl)methanamine
CID 19780174
(1-dodecylpyrrolidin-2-yl)methanol
CID 63468146
[(2R)-1-heptylpyrrolidin-2-yl]methanol
CID 64982587
[(2S)-1-decylpyrrolidin-2-yl]methanol
CID 79003239
1-decyl-2-propylpyrrolidine;hydrochloride
CID 175874875
1-dodecyl-2-ethylpiperidine
CID 171569899
2-butyl-1-dodecylpyrrolidine;formonitrile
CID 175874902
2-methyl-N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
CID 63528021
N-[(1-hexylpiperidin-2-yl)methyl]-2-methylpropan-1-amine
CID 63528195

Frequently Asked Questions

What is the IUPAC name of N-[(1-hexylpyrrolidin-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-hexylpyrrolidin-2-yl)methyl]cyclopropanamine (CID 62581263) is N-[(1-hexylpyrrolidin-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-hexylpyrrolidin-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-hexylpyrrolidin-2-yl)methyl]cyclopropanamine is CCCCCCN1CCCC1CNC1CC1.
What is the InChIKey of N-[(1-hexylpyrrolidin-2-yl)methyl]cyclopropanamine?
The InChIKey is PMFQPGAYOQGYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-2-3-4-5-10-16-11-6-7-14(16)12-15-13-8-9-13/h13-15H,2-12H2,1H3.
What are the key properties of N-[(1-hexylpyrrolidin-2-yl)methyl]cyclopropanamine?
N-[(1-hexylpyrrolidin-2-yl)methyl]cyclopropanamine has a molecular weight of 224.39 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hexylpyrrolidin-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 62581263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).