2-cycloheptyl-N-ethyl-1-(2-phenylcyclopropyl)ethanamine

C20H31N — CID 105052609

IUPAC2-cycloheptyl-N-ethyl-1-(2-phenylcyclopropyl)ethanamine
SMILESCCNC(CC1CCCCCC1)C1CC1c1ccccc1
InChIInChI=1S/C20H31N/c1-2-21-20(14-16-10-6-3-4-7-11-16)19-15-18(19)17-12-8-5-9-13-17/h5,8-9,12-13,16,18-21H,2-4,6-7,10-11,14-15H2,1H3
InChIKeyMKNXWEFPCCMWSH-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.13
Rot. Bonds6

About 2-cycloheptyl-N-ethyl-1-(2-phenylcyclopropyl)ethanamine

2-cycloheptyl-N-ethyl-1-(2-phenylcyclopropyl)ethanamine (PubChem CID 105052609) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is 2-cycloheptyl-N-ethyl-1-(2-phenylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-cycloheptyl-N-ethyl-1-(2-phenylcyclopropyl)ethanamine
PubChem CID105052609
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC Name2-cycloheptyl-N-ethyl-1-(2-phenylcyclopropyl)ethanamine
SMILESCCNC(CC1CCCCCC1)C1CC1c1ccccc1
InChIInChI=1S/C20H31N/c1-2-21-20(14-16-10-6-3-4-7-11-16)19-15-18(19)17-12-8-5-9-13-17/h5,8-9,12-13,16,18-21H,2-4,6-7,10-11,14-15H2,1H3
InChIKeyMKNXWEFPCCMWSH-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-N-methyl-1-(2-phenylcyclopropyl)ethanamine
CID 116517798
N-ethyl-3,3,3-trifluoro-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517402
2-cyclopropyl-N-ethyl-1-(2-phenylcyclopropyl)propan-1-amine
CID 105052535
N-ethyl-4,4,4-trifluoro-1-(2-phenylcyclopropyl)butan-1-amine
CID 116517759
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanamine
CID 105188962
N-ethyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine
CID 116517454
N-ethyl-5,5,5-trifluoro-1-(2-phenylcyclopropyl)pentan-1-amine
CID 105024327
N-[(3-methylcyclohexyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517434
1,2-di(cycloheptyl)-N-ethylethanamine
CID 105027799
1-cycloheptyl-2-cyclohexyl-N-ethylethanamine
CID 65399491
N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517740
2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)ethanamine
CID 116722479

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-ethyl-1-(2-phenylcyclopropyl)ethanamine?
The IUPAC name of 2-cycloheptyl-N-ethyl-1-(2-phenylcyclopropyl)ethanamine (CID 105052609) is 2-cycloheptyl-N-ethyl-1-(2-phenylcyclopropyl)ethanamine.
What is the SMILES notation for 2-cycloheptyl-N-ethyl-1-(2-phenylcyclopropyl)ethanamine?
The canonical SMILES for 2-cycloheptyl-N-ethyl-1-(2-phenylcyclopropyl)ethanamine is CCNC(CC1CCCCCC1)C1CC1c1ccccc1.
What is the InChIKey of 2-cycloheptyl-N-ethyl-1-(2-phenylcyclopropyl)ethanamine?
The InChIKey is MKNXWEFPCCMWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-2-21-20(14-16-10-6-3-4-7-11-16)19-15-18(19)17-12-8-5-9-13-17/h5,8-9,12-13,16,18-21H,2-4,6-7,10-11,14-15H2,1H3.
What are the key properties of 2-cycloheptyl-N-ethyl-1-(2-phenylcyclopropyl)ethanamine?
2-cycloheptyl-N-ethyl-1-(2-phenylcyclopropyl)ethanamine has a molecular weight of 285.47 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-ethyl-1-(2-phenylcyclopropyl)ethanamine is sourced from PubChem (CID 105052609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).