N-(1-phenylhexan-3-yl)cyclopropanamine

C15H23N — CID 115704621

IUPACN-(1-phenylhexan-3-yl)cyclopropanamine
SMILESCCCC(CCc1ccccc1)NC1CC1
InChIInChI=1S/C15H23N/c1-2-6-14(16-15-11-12-15)10-9-13-7-4-3-5-8-13/h3-5,7-8,14-16H,2,6,9-12H2,1H3
InChIKeyTTYHWHKPKUEJKD-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.54
Rot. Bonds7

About N-(1-phenylhexan-3-yl)cyclopropanamine

N-(1-phenylhexan-3-yl)cyclopropanamine (PubChem CID 115704621) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-(1-phenylhexan-3-yl)cyclopropanamine.

Molecular Properties

Compound NameN-(1-phenylhexan-3-yl)cyclopropanamine
PubChem CID115704621
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-(1-phenylhexan-3-yl)cyclopropanamine
SMILESCCCC(CCc1ccccc1)NC1CC1
InChIInChI=1S/C15H23N/c1-2-6-14(16-15-11-12-15)10-9-13-7-4-3-5-8-13/h3-5,7-8,14-16H,2,6,9-12H2,1H3
InChIKeyTTYHWHKPKUEJKD-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-heptan-4-yl-2,3-dihydro-1H-inden-2-amine
CID 104694875
2-(cyclopropylmethylamino)-N-(1-phenylhexan-3-yl)acetamide
CID 119802845
2-(cyclopropylamino)-4-phenylbutanoic acid
CID 62880586
N-(4-phenylbutan-2-yl)cyclohexanamine
CID 10633307
N-hexan-3-ylcyclopropanamine
CID 103920845
N-(1-phenylhexan-3-yl)piperidine-4-carboxamide
CID 119334584
N-(5-phenyl-2-propylpentyl)cyclopropanamine
CID 63498686
1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine
CID 62600838
N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
N-(1-phenylhexan-3-yl)pyrrolidine-3-carboxamide
CID 119802857
3-amino-N-(1-phenylhexan-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119802836
4,4-difluoro-2-methyl-N-(1-phenylhexan-3-yl)butanamide
CID 167903936

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylhexan-3-yl)cyclopropanamine?
The IUPAC name of N-(1-phenylhexan-3-yl)cyclopropanamine (CID 115704621) is N-(1-phenylhexan-3-yl)cyclopropanamine.
What is the SMILES notation for N-(1-phenylhexan-3-yl)cyclopropanamine?
The canonical SMILES for N-(1-phenylhexan-3-yl)cyclopropanamine is CCCC(CCc1ccccc1)NC1CC1.
What is the InChIKey of N-(1-phenylhexan-3-yl)cyclopropanamine?
The InChIKey is TTYHWHKPKUEJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-2-6-14(16-15-11-12-15)10-9-13-7-4-3-5-8-13/h3-5,7-8,14-16H,2,6,9-12H2,1H3.
What are the key properties of N-(1-phenylhexan-3-yl)cyclopropanamine?
N-(1-phenylhexan-3-yl)cyclopropanamine has a molecular weight of 217.36 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylhexan-3-yl)cyclopropanamine is sourced from PubChem (CID 115704621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).