2-ethyl-1-(2-ethylbutyl)cyclohexan-1-amine

C14H29N — CID 82920876

IUPAC2-ethyl-1-(2-ethylbutyl)cyclohexan-1-amine
SMILESCCC(CC)CC1(N)CCCCC1CC
InChIInChI=1S/C14H29N/c1-4-12(5-2)11-14(15)10-8-7-9-13(14)6-3/h12-13H,4-11,15H2,1-3H3
InChIKeyMSSRQEMSNQSBKE-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.11
Rot. Bonds5

About 2-ethyl-1-(2-ethylbutyl)cyclohexan-1-amine

2-ethyl-1-(2-ethylbutyl)cyclohexan-1-amine (PubChem CID 82920876) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 2-ethyl-1-(2-ethylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(2-ethylbutyl)cyclohexan-1-amine
PubChem CID82920876
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name2-ethyl-1-(2-ethylbutyl)cyclohexan-1-amine
SMILESCCC(CC)CC1(N)CCCCC1CC
InChIInChI=1S/C14H29N/c1-4-12(5-2)11-14(15)10-8-7-9-13(14)6-3/h12-13H,4-11,15H2,1-3H3
InChIKeyMSSRQEMSNQSBKE-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-ethylbutyl)cyclohexan-1-amine?
The IUPAC name of 2-ethyl-1-(2-ethylbutyl)cyclohexan-1-amine (CID 82920876) is 2-ethyl-1-(2-ethylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 2-ethyl-1-(2-ethylbutyl)cyclohexan-1-amine?
The canonical SMILES for 2-ethyl-1-(2-ethylbutyl)cyclohexan-1-amine is CCC(CC)CC1(N)CCCCC1CC.
What is the InChIKey of 2-ethyl-1-(2-ethylbutyl)cyclohexan-1-amine?
The InChIKey is MSSRQEMSNQSBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-4-12(5-2)11-14(15)10-8-7-9-13(14)6-3/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 2-ethyl-1-(2-ethylbutyl)cyclohexan-1-amine?
2-ethyl-1-(2-ethylbutyl)cyclohexan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-ethylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 82920876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).