1-(1-tetradecan-7-ylpyrrolidin-3-yl)cyclopropan-1-amine

C21H42N2 — CID 155392460

IUPAC1-(1-tetradecan-7-ylpyrrolidin-3-yl)cyclopropan-1-amine
SMILESCCCCCCCC(CCCCCC)N1CCC(C2(N)CC2)C1
InChIInChI=1S/C21H42N2/c1-3-5-7-9-11-13-20(12-10-8-6-4-2)23-17-14-19(18-23)21(22)15-16-21/h19-20H,3-18,22H2,1-2H3
InChIKeyMSVNMAAKDUFUJA-UHFFFAOYSA-N
MW322.58 g/mol
LogP5.50
Rot. Bonds13

About 1-(1-tetradecan-7-ylpyrrolidin-3-yl)cyclopropan-1-amine

1-(1-tetradecan-7-ylpyrrolidin-3-yl)cyclopropan-1-amine (PubChem CID 155392460) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is 1-(1-tetradecan-7-ylpyrrolidin-3-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(1-tetradecan-7-ylpyrrolidin-3-yl)cyclopropan-1-amine
PubChem CID155392460
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC Name1-(1-tetradecan-7-ylpyrrolidin-3-yl)cyclopropan-1-amine
SMILESCCCCCCCC(CCCCCC)N1CCC(C2(N)CC2)C1
InChIInChI=1S/C21H42N2/c1-3-5-7-9-11-13-20(12-10-8-6-4-2)23-17-14-19(18-23)21(22)15-16-21/h19-20H,3-18,22H2,1-2H3
InChIKeyMSVNMAAKDUFUJA-UHFFFAOYSA-N
XLogP5.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 55.50
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

1-pentadecan-8-ylpiperidin-4-amine
CID 134177605
4-methyl-1-pentadecan-8-ylpiperidine
CID 129306753
(3R)-N,N-dimethyl-1-tetradecan-7-ylpyrrolidin-3-amine
CID 166754113
(3R,4R)-4-amino-1-pentadecan-8-ylpiperidine-3-carbonitrile
CID 134267182
(3R,4R)-3-methoxy-1-pentadecan-8-ylpiperidin-4-amine
CID 134177721
1-octadecan-4-ylaziridine
CID 87223215
4-pentadecan-8-ylthiomorpholine
CID 134320979
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)nonan-1-amine
CID 43620229
(1-tridecan-6-ylazetidin-3-yl)methanamine
CID 134177714
3,3-dimethyl-1-pentadecan-8-ylpiperidine
CID 139447357
2-(4-propylpiperidin-1-yl)nonan-1-amine
CID 63465247
1-undecan-5-ylpiperidine
CID 174506253

Frequently Asked Questions

What is the IUPAC name of 1-(1-tetradecan-7-ylpyrrolidin-3-yl)cyclopropan-1-amine?
The IUPAC name of 1-(1-tetradecan-7-ylpyrrolidin-3-yl)cyclopropan-1-amine (CID 155392460) is 1-(1-tetradecan-7-ylpyrrolidin-3-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(1-tetradecan-7-ylpyrrolidin-3-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(1-tetradecan-7-ylpyrrolidin-3-yl)cyclopropan-1-amine is CCCCCCCC(CCCCCC)N1CCC(C2(N)CC2)C1.
What is the InChIKey of 1-(1-tetradecan-7-ylpyrrolidin-3-yl)cyclopropan-1-amine?
The InChIKey is MSVNMAAKDUFUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2/c1-3-5-7-9-11-13-20(12-10-8-6-4-2)23-17-14-19(18-23)21(22)15-16-21/h19-20H,3-18,22H2,1-2H3.
What are the key properties of 1-(1-tetradecan-7-ylpyrrolidin-3-yl)cyclopropan-1-amine?
1-(1-tetradecan-7-ylpyrrolidin-3-yl)cyclopropan-1-amine has a molecular weight of 322.58 g/mol, XLogP of 5.50, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tetradecan-7-ylpyrrolidin-3-yl)cyclopropan-1-amine is sourced from PubChem (CID 155392460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).