N-(2-ethyl-3-methyl-2-phenylhexyl)cyclopropanamine

C18H29N — CID 107897391

IUPACN-(2-ethyl-3-methyl-2-phenylhexyl)cyclopropanamine
SMILESCCCC(C)C(CC)(CNC1CC1)c1ccccc1
InChIInChI=1S/C18H29N/c1-4-9-15(3)18(5-2,14-19-17-12-13-17)16-10-7-6-8-11-16/h6-8,10-11,15,17,19H,4-5,9,12-14H2,1-3H3
InChIKeyPFAQHJVISRBCBQ-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.52
Rot. Bonds8

About N-(2-ethyl-3-methyl-2-phenylhexyl)cyclopropanamine

N-(2-ethyl-3-methyl-2-phenylhexyl)cyclopropanamine (PubChem CID 107897391) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-(2-ethyl-3-methyl-2-phenylhexyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-ethyl-3-methyl-2-phenylhexyl)cyclopropanamine
PubChem CID107897391
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-(2-ethyl-3-methyl-2-phenylhexyl)cyclopropanamine
SMILESCCCC(C)C(CC)(CNC1CC1)c1ccccc1
InChIInChI=1S/C18H29N/c1-4-9-15(3)18(5-2,14-19-17-12-13-17)16-10-7-6-8-11-16/h6-8,10-11,15,17,19H,4-5,9,12-14H2,1-3H3
InChIKeyPFAQHJVISRBCBQ-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-3-methyl-2-phenyl-N-propan-2-ylhexan-1-amine
CID 107897390
1-(cyclopropylamino)-2-phenylpentan-2-ol
CID 62774377
N-[2-(cyclopentylmethyl)-2-phenylbutyl]cyclopropanamine
CID 63508646
2-ethyl-N-methyl-1-(4-methylcyclohexyl)-2-phenylbutan-1-amine
CID 64774837
1-cyclohexyl-N,2-diethyl-2-phenylbutan-1-amine
CID 63417640
1-cyclohexyl-2-ethyl-2-phenylbutan-1-amine
CID 63418081
(2S)-3-ethyl-3-phenylpentan-2-amine
CID 64712581
3-methyl-2-phenylhexan-2-amine
CID 107892285
N-cyclopropyl-N'-ethyl-N',2-dimethyl-2-phenylpropane-1,3-diamine
CID 62262722
(3-ethyl-3-phenyloctan-4-yl)azanium hydroxide
CID 21316151
N-[2-(1,1-dioxothiolan-3-yl)-2-phenylbutyl]cyclopropanamine
CID 62725078
2-methyl-1-[(4-phenylcyclohexyl)amino]pentan-2-ol
CID 103783342

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-3-methyl-2-phenylhexyl)cyclopropanamine?
The IUPAC name of N-(2-ethyl-3-methyl-2-phenylhexyl)cyclopropanamine (CID 107897391) is N-(2-ethyl-3-methyl-2-phenylhexyl)cyclopropanamine.
What is the SMILES notation for N-(2-ethyl-3-methyl-2-phenylhexyl)cyclopropanamine?
The canonical SMILES for N-(2-ethyl-3-methyl-2-phenylhexyl)cyclopropanamine is CCCC(C)C(CC)(CNC1CC1)c1ccccc1.
What is the InChIKey of N-(2-ethyl-3-methyl-2-phenylhexyl)cyclopropanamine?
The InChIKey is PFAQHJVISRBCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-9-15(3)18(5-2,14-19-17-12-13-17)16-10-7-6-8-11-16/h6-8,10-11,15,17,19H,4-5,9,12-14H2,1-3H3.
What are the key properties of N-(2-ethyl-3-methyl-2-phenylhexyl)cyclopropanamine?
N-(2-ethyl-3-methyl-2-phenylhexyl)cyclopropanamine has a molecular weight of 259.44 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-3-methyl-2-phenylhexyl)cyclopropanamine is sourced from PubChem (CID 107897391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).