1-[2-(cyclopropylmethyl)-5,5-diethylcyclohexyl]-N-ethylethanamine

C18H35N — CID 91350540

IUPAC1-[2-(cyclopropylmethyl)-5,5-diethylcyclohexyl]-N-ethylethanamine
SMILESCCNC(C)C1CC(CC)(CC)CCC1CC1CC1
InChIInChI=1S/C18H35N/c1-5-18(6-2)11-10-16(12-15-8-9-15)17(13-18)14(4)19-7-3/h14-17,19H,5-13H2,1-4H3
InChIKeyYJTZDMQQSPPYGP-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.01
Rot. Bonds7

About 1-[2-(cyclopropylmethyl)-5,5-diethylcyclohexyl]-N-ethylethanamine

1-[2-(cyclopropylmethyl)-5,5-diethylcyclohexyl]-N-ethylethanamine (PubChem CID 91350540) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethyl)-5,5-diethylcyclohexyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(cyclopropylmethyl)-5,5-diethylcyclohexyl]-N-ethylethanamine
PubChem CID91350540
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name1-[2-(cyclopropylmethyl)-5,5-diethylcyclohexyl]-N-ethylethanamine
SMILESCCNC(C)C1CC(CC)(CC)CCC1CC1CC1
InChIInChI=1S/C18H35N/c1-5-18(6-2)11-10-16(12-15-8-9-15)17(13-18)14(4)19-7-3/h14-17,19H,5-13H2,1-4H3
InChIKeyYJTZDMQQSPPYGP-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethyl)-5,5-diethylcyclohexyl]-N-ethylethanamine?
The IUPAC name of 1-[2-(cyclopropylmethyl)-5,5-diethylcyclohexyl]-N-ethylethanamine (CID 91350540) is 1-[2-(cyclopropylmethyl)-5,5-diethylcyclohexyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(cyclopropylmethyl)-5,5-diethylcyclohexyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(cyclopropylmethyl)-5,5-diethylcyclohexyl]-N-ethylethanamine is CCNC(C)C1CC(CC)(CC)CCC1CC1CC1.
What is the InChIKey of 1-[2-(cyclopropylmethyl)-5,5-diethylcyclohexyl]-N-ethylethanamine?
The InChIKey is YJTZDMQQSPPYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-5-18(6-2)11-10-16(12-15-8-9-15)17(13-18)14(4)19-7-3/h14-17,19H,5-13H2,1-4H3.
What are the key properties of 1-[2-(cyclopropylmethyl)-5,5-diethylcyclohexyl]-N-ethylethanamine?
1-[2-(cyclopropylmethyl)-5,5-diethylcyclohexyl]-N-ethylethanamine has a molecular weight of 265.48 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethyl)-5,5-diethylcyclohexyl]-N-ethylethanamine is sourced from PubChem (CID 91350540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).