N-ethyl-1-(1-phenylcyclopropyl)hexan-1-amine

C17H27N — CID 63080234

IUPACN-ethyl-1-(1-phenylcyclopropyl)hexan-1-amine
SMILESCCCCCC(NCC)C1(c2ccccc2)CC1
InChIInChI=1S/C17H27N/c1-3-5-7-12-16(18-4-2)17(13-14-17)15-10-8-6-9-11-15/h6,8-11,16,18H,3-5,7,12-14H2,1-2H3
InChIKeyUUFCRPYWKDHTFS-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.28
Rot. Bonds8

About N-ethyl-1-(1-phenylcyclopropyl)hexan-1-amine

N-ethyl-1-(1-phenylcyclopropyl)hexan-1-amine (PubChem CID 63080234) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-ethyl-1-(1-phenylcyclopropyl)hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-phenylcyclopropyl)hexan-1-amine
PubChem CID63080234
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-ethyl-1-(1-phenylcyclopropyl)hexan-1-amine
SMILESCCCCCC(NCC)C1(c2ccccc2)CC1
InChIInChI=1S/C17H27N/c1-3-5-7-12-16(18-4-2)17(13-14-17)15-10-8-6-9-11-15/h6,8-11,16,18H,3-5,7,12-14H2,1-2H3
InChIKeyUUFCRPYWKDHTFS-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.28
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-ethyl-1-(1-phenylcyclohexyl)pentan-1-amine
CID 63417587
N-ethyl-4-methyl-1-(1-phenylcyclobutyl)pentan-1-amine
CID 63417531
N-ethyl-1-(1-phenylcyclopentyl)propan-1-amine
CID 63079391
N-ethyl-4,4,4-trifluoro-1-(1-phenylcyclopropyl)butan-1-amine
CID 64567436
N-ethyl-4-methyl-1-(1-phenylcyclohexyl)pentan-1-amine
CID 63417631
N-ethyl-3-methyl-1-(1-phenylcyclopropyl)hexan-1-amine
CID 63417923
N-methyl-1-(1-phenylcyclohexyl)heptan-1-amine
CID 63418164
N-ethyl-4-methylsulfonyl-1-(1-phenylcyclobutyl)butan-1-amine
CID 63192049
N-ethyl-1-(1-phenylcyclopropyl)but-3-en-1-amine
CID 63078455
N-ethyl-3-methyl-1-(1-phenylcyclopropyl)but-3-en-1-amine
CID 79185073
N-methyl-1-(4-phenyloxan-4-yl)pentan-1-amine
CID 63083756
N-ethyl-2-(2-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine
CID 62879879

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-phenylcyclopropyl)hexan-1-amine?
The IUPAC name of N-ethyl-1-(1-phenylcyclopropyl)hexan-1-amine (CID 63080234) is N-ethyl-1-(1-phenylcyclopropyl)hexan-1-amine.
What is the SMILES notation for N-ethyl-1-(1-phenylcyclopropyl)hexan-1-amine?
The canonical SMILES for N-ethyl-1-(1-phenylcyclopropyl)hexan-1-amine is CCCCCC(NCC)C1(c2ccccc2)CC1.
What is the InChIKey of N-ethyl-1-(1-phenylcyclopropyl)hexan-1-amine?
The InChIKey is UUFCRPYWKDHTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-3-5-7-12-16(18-4-2)17(13-14-17)15-10-8-6-9-11-15/h6,8-11,16,18H,3-5,7,12-14H2,1-2H3.
What are the key properties of N-ethyl-1-(1-phenylcyclopropyl)hexan-1-amine?
N-ethyl-1-(1-phenylcyclopropyl)hexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-phenylcyclopropyl)hexan-1-amine is sourced from PubChem (CID 63080234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).