N-[2-(cyclohexen-1-yl)-3-methylhexyl]cyclopropanamine

C16H29N — CID 107887258

IUPACN-[2-(cyclohexen-1-yl)-3-methylhexyl]cyclopropanamine
SMILESCCCC(C)C(CNC1CC1)C1=CCCCC1
InChIInChI=1S/C16H29N/c1-3-7-13(2)16(12-17-15-10-11-15)14-8-5-4-6-9-14/h8,13,15-17H,3-7,9-12H2,1-2H3
InChIKeyKIXMRWOONPFZOX-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.29
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)-3-methylhexyl]cyclopropanamine

N-[2-(cyclohexen-1-yl)-3-methylhexyl]cyclopropanamine (PubChem CID 107887258) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)-3-methylhexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)-3-methylhexyl]cyclopropanamine
PubChem CID107887258
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-[2-(cyclohexen-1-yl)-3-methylhexyl]cyclopropanamine
SMILESCCCC(C)C(CNC1CC1)C1=CCCCC1
InChIInChI=1S/C16H29N/c1-3-7-13(2)16(12-17-15-10-11-15)14-8-5-4-6-9-14/h8,13,15-17H,3-7,9-12H2,1-2H3
InChIKeyKIXMRWOONPFZOX-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(cycloocten-1-yl)-2-methyl-N-propylpentan-1-amine
CID 106656618
N-[2-(2-fluorophenyl)-3-methylhexyl]cyclopropanamine
CID 107886995
1-pentan-2-ylcyclopentene
CID 21242449
N-[2-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-2-amine
CID 116662297
2-(cyclohexen-1-yl)-3-ethyl-N-(2-methylpropyl)pentan-1-amine
CID 116662399
N-[2-[(4-bromophenyl)methyl]-3-methylhexyl]cyclopropanamine
CID 107897175
N-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine
CID 62079771
[1-(cyclohexen-1-yl)-2-methylbutyl]hydrazine
CID 106648898
1-(cyclohexen-1-yl)-3-methylhexan-2-ol
CID 107893039
1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine
CID 62080150
N-[4-methyl-2-[(4-methylphenyl)methyl]heptyl]cyclopropanamine
CID 63522593
N-[1-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-1-amine
CID 63505316

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)-3-methylhexyl]cyclopropanamine?
The IUPAC name of N-[2-(cyclohexen-1-yl)-3-methylhexyl]cyclopropanamine (CID 107887258) is N-[2-(cyclohexen-1-yl)-3-methylhexyl]cyclopropanamine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)-3-methylhexyl]cyclopropanamine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)-3-methylhexyl]cyclopropanamine is CCCC(C)C(CNC1CC1)C1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)-3-methylhexyl]cyclopropanamine?
The InChIKey is KIXMRWOONPFZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-3-7-13(2)16(12-17-15-10-11-15)14-8-5-4-6-9-14/h8,13,15-17H,3-7,9-12H2,1-2H3.
What are the key properties of N-[2-(cyclohexen-1-yl)-3-methylhexyl]cyclopropanamine?
N-[2-(cyclohexen-1-yl)-3-methylhexyl]cyclopropanamine has a molecular weight of 235.41 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)-3-methylhexyl]cyclopropanamine is sourced from PubChem (CID 107887258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).