3-cyclopropyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine

C17H25N — CID 81350676

IUPAC3-cyclopropyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
SMILESC[C@@H](NC1CCCC(C2CC2)C1)c1ccccc1
InChIInChI=1S/C17H25N/c1-13(14-6-3-2-4-7-14)18-17-9-5-8-16(12-17)15-10-11-15/h2-4,6-7,13,15-18H,5,8-12H2,1H3/t13-,16?,17?/m1/s1
InChIKeyBPOPFDKWVZEBGB-NVPAJSRCSA-N
MW243.39 g/mol
LogP4.31
Rot. Bonds4

About 3-cyclopropyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine

3-cyclopropyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine (PubChem CID 81350676) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
PubChem CID81350676
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name3-cyclopropyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
SMILESC[C@@H](NC1CCCC(C2CC2)C1)c1ccccc1
InChIInChI=1S/C17H25N/c1-13(14-6-3-2-4-7-14)18-17-9-5-8-16(12-17)15-10-11-15/h2-4,6-7,13,15-18H,5,8-12H2,1H3/t13-,16?,17?/m1/s1
InChIKeyBPOPFDKWVZEBGB-NVPAJSRCSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopropyl-N-[1-(4-propan-2-ylphenyl)ethyl]cyclohexan-1-amine
CID 64593706
N-[1-(4-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 64624415
3-methyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 12731669
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 81366711
3-(1-phenylethylamino)cyclohexan-1-ol
CID 43751335
N-(1-phenylethyl)cyclododecanamine
CID 60662638
N-[(1R)-1-(2-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 81379091
N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81406202
N-[(1R)-1-(4-bromophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81353587
N-[(1R)-1-pyridin-3-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81407407
N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81368804
1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine
CID 23154294

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine?
The IUPAC name of 3-cyclopropyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine (CID 81350676) is 3-cyclopropyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine is C[C@@H](NC1CCCC(C2CC2)C1)c1ccccc1.
What is the InChIKey of 3-cyclopropyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine?
The InChIKey is BPOPFDKWVZEBGB-NVPAJSRCSA-N. The full InChI is InChI=1S/C17H25N/c1-13(14-6-3-2-4-7-14)18-17-9-5-8-16(12-17)15-10-11-15/h2-4,6-7,13,15-18H,5,8-12H2,1H3/t13-,16?,17?/m1/s1.
What are the key properties of 3-cyclopropyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine?
3-cyclopropyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine is sourced from PubChem (CID 81350676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).