1,2-di(cycloheptyl)-N-ethylethanamine

C18H35N — CID 105027799

IUPAC1,2-di(cycloheptyl)-N-ethylethanamine
SMILESCCNC(CC1CCCCCC1)C1CCCCCC1
InChIInChI=1S/C18H35N/c1-2-19-18(17-13-9-5-6-10-14-17)15-16-11-7-3-4-8-12-16/h16-19H,2-15H2,1H3
InChIKeyYNRWXEMIZHRKHC-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.30
Rot. Bonds5

About 1,2-di(cycloheptyl)-N-ethylethanamine

1,2-di(cycloheptyl)-N-ethylethanamine (PubChem CID 105027799) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 1,2-di(cycloheptyl)-N-ethylethanamine.

Molecular Properties

Compound Name1,2-di(cycloheptyl)-N-ethylethanamine
PubChem CID105027799
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name1,2-di(cycloheptyl)-N-ethylethanamine
SMILESCCNC(CC1CCCCCC1)C1CCCCCC1
InChIInChI=1S/C18H35N/c1-2-19-18(17-13-9-5-6-10-14-17)15-16-11-7-3-4-8-12-16/h16-19H,2-15H2,1H3
InChIKeyYNRWXEMIZHRKHC-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cycloheptyl-2-cyclohexyl-N-ethylethanamine
CID 65399491
1,2-di(cyclobutyl)-N-ethylethanamine
CID 65456991
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
2-cyclohexyl-1-(3,4-dimethylcyclohexyl)-N-ethylethanamine
CID 104989257
N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584
3-cycloheptyl-1-cyclopropyl-N-ethylpropan-1-amine
CID 82924608
1,2-dicyclopentyl-N-methylethanamine
CID 62601762
2-cyclobutyl-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine
CID 103168801
1-cycloheptyl-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 65399101
1-cycloheptyl-3-cyclopropyl-N-ethylpropan-2-amine
CID 104986481
1-cyclopropyl-N-ethyl-2-(oxan-4-yl)ethanamine
CID 62600215
1-cycloheptyl-N-ethyl-2-methoxyethanamine
CID 79574660

Frequently Asked Questions

What is the IUPAC name of 1,2-di(cycloheptyl)-N-ethylethanamine?
The IUPAC name of 1,2-di(cycloheptyl)-N-ethylethanamine (CID 105027799) is 1,2-di(cycloheptyl)-N-ethylethanamine.
What is the SMILES notation for 1,2-di(cycloheptyl)-N-ethylethanamine?
The canonical SMILES for 1,2-di(cycloheptyl)-N-ethylethanamine is CCNC(CC1CCCCCC1)C1CCCCCC1.
What is the InChIKey of 1,2-di(cycloheptyl)-N-ethylethanamine?
The InChIKey is YNRWXEMIZHRKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-2-19-18(17-13-9-5-6-10-14-17)15-16-11-7-3-4-8-12-16/h16-19H,2-15H2,1H3.
What are the key properties of 1,2-di(cycloheptyl)-N-ethylethanamine?
1,2-di(cycloheptyl)-N-ethylethanamine has a molecular weight of 265.48 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(cycloheptyl)-N-ethylethanamine is sourced from PubChem (CID 105027799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).