(4Z)-4-ethylidene-N-methyl-3-propan-2-ylidenecyclohexan-1-amine

C12H21N — CID 177018619

IUPAC(4Z)-4-ethylidene-N-methyl-3-propan-2-ylidenecyclohexan-1-amine
SMILESC/C=C1/CCC(NC)CC1=C(C)C
InChIInChI=1S/C12H21N/c1-5-10-6-7-11(13-4)8-12(10)9(2)3/h5,11,13H,6-8H2,1-4H3/b10-5-
InChIKeyYJASLTDBESSMND-YHYXMXQVSA-N
MW179.31 g/mol
LogP3.04
Rot. Bonds1

About (4Z)-4-ethylidene-N-methyl-3-propan-2-ylidenecyclohexan-1-amine

(4Z)-4-ethylidene-N-methyl-3-propan-2-ylidenecyclohexan-1-amine (PubChem CID 177018619) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (4Z)-4-ethylidene-N-methyl-3-propan-2-ylidenecyclohexan-1-amine.

Molecular Properties

Compound Name(4Z)-4-ethylidene-N-methyl-3-propan-2-ylidenecyclohexan-1-amine
PubChem CID177018619
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(4Z)-4-ethylidene-N-methyl-3-propan-2-ylidenecyclohexan-1-amine
SMILESC/C=C1/CCC(NC)CC1=C(C)C
InChIInChI=1S/C12H21N/c1-5-10-6-7-11(13-4)8-12(10)9(2)3/h5,11,13H,6-8H2,1-4H3/b10-5-
InChIKeyYJASLTDBESSMND-YHYXMXQVSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethylidene-N-methyl-3-propan-2-ylidenecyclohexan-1-amine?
The IUPAC name of (4Z)-4-ethylidene-N-methyl-3-propan-2-ylidenecyclohexan-1-amine (CID 177018619) is (4Z)-4-ethylidene-N-methyl-3-propan-2-ylidenecyclohexan-1-amine.
What is the SMILES notation for (4Z)-4-ethylidene-N-methyl-3-propan-2-ylidenecyclohexan-1-amine?
The canonical SMILES for (4Z)-4-ethylidene-N-methyl-3-propan-2-ylidenecyclohexan-1-amine is C/C=C1/CCC(NC)CC1=C(C)C.
What is the InChIKey of (4Z)-4-ethylidene-N-methyl-3-propan-2-ylidenecyclohexan-1-amine?
The InChIKey is YJASLTDBESSMND-YHYXMXQVSA-N. The full InChI is InChI=1S/C12H21N/c1-5-10-6-7-11(13-4)8-12(10)9(2)3/h5,11,13H,6-8H2,1-4H3/b10-5-.
What are the key properties of (4Z)-4-ethylidene-N-methyl-3-propan-2-ylidenecyclohexan-1-amine?
(4Z)-4-ethylidene-N-methyl-3-propan-2-ylidenecyclohexan-1-amine has a molecular weight of 179.31 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethylidene-N-methyl-3-propan-2-ylidenecyclohexan-1-amine is sourced from PubChem (CID 177018619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).