N-[(2-heptyl-2-methylcyclopropyl)methyl]cyclopropanamine

C15H29N — CID 63515265

IUPACN-[(2-heptyl-2-methylcyclopropyl)methyl]cyclopropanamine
SMILESCCCCCCCC1(C)CC1CNC1CC1
InChIInChI=1S/C15H29N/c1-3-4-5-6-7-10-15(2)11-13(15)12-16-14-8-9-14/h13-14,16H,3-12H2,1-2H3
InChIKeySPUBLTUEKGRKNF-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.13
Rot. Bonds9

About N-[(2-heptyl-2-methylcyclopropyl)methyl]cyclopropanamine

N-[(2-heptyl-2-methylcyclopropyl)methyl]cyclopropanamine (PubChem CID 63515265) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-[(2-heptyl-2-methylcyclopropyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-heptyl-2-methylcyclopropyl)methyl]cyclopropanamine
PubChem CID63515265
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-[(2-heptyl-2-methylcyclopropyl)methyl]cyclopropanamine
SMILESCCCCCCCC1(C)CC1CNC1CC1
InChIInChI=1S/C15H29N/c1-3-4-5-6-7-10-15(2)11-13(15)12-16-14-8-9-14/h13-14,16H,3-12H2,1-2H3
InChIKeySPUBLTUEKGRKNF-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-heptyl-2-methylcyclopropyl)methyl]propan-1-amine
CID 63514212
N-[(2-heptyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030361
cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol
CID 102123339
N-[(1-octylcyclopentyl)methyl]cyclopropanamine
CID 63509236
N-[(2-octylcyclobutyl)methyl]cyclopropanamine
CID 81017226
N-[(6,6-dimethylspiro[2.3]hexan-2-yl)methyl]cyclopropanamine
CID 130555268
N'-cyclopropyl-N-decylpropane-1,3-diamine
CID 113410376
N-[(2-octylcyclopentyl)methyl]cyclopropanamine
CID 81033237
N-[(2-butyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030656
N-[(4-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine
CID 63523446
4-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
CID 79352031
N-[(4-tert-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine
CID 63507892

Frequently Asked Questions

What is the IUPAC name of N-[(2-heptyl-2-methylcyclopropyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-heptyl-2-methylcyclopropyl)methyl]cyclopropanamine (CID 63515265) is N-[(2-heptyl-2-methylcyclopropyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-heptyl-2-methylcyclopropyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-heptyl-2-methylcyclopropyl)methyl]cyclopropanamine is CCCCCCCC1(C)CC1CNC1CC1.
What is the InChIKey of N-[(2-heptyl-2-methylcyclopropyl)methyl]cyclopropanamine?
The InChIKey is SPUBLTUEKGRKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-3-4-5-6-7-10-15(2)11-13(15)12-16-14-8-9-14/h13-14,16H,3-12H2,1-2H3.
What are the key properties of N-[(2-heptyl-2-methylcyclopropyl)methyl]cyclopropanamine?
N-[(2-heptyl-2-methylcyclopropyl)methyl]cyclopropanamine has a molecular weight of 223.40 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-heptyl-2-methylcyclopropyl)methyl]cyclopropanamine is sourced from PubChem (CID 63515265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).