(3R)-N-[[(3E)-3-[(Z)-but-2-enylidene]cyclohexyl]methyl]-2,4-dimethylpent-1-en-3-amine

C18H31N — CID 88588511

IUPAC(3R)-N-[[(3E)-3-[(Z)-but-2-enylidene]cyclohexyl]methyl]-2,4-dimethylpent-1-en-3-amine
SMILESC=C(C)[C@H](NCC1CCC/C(=C\C=C/C)C1)C(C)C
InChIInChI=1S/C18H31N/c1-6-7-9-16-10-8-11-17(12-16)13-19-18(14(2)3)15(4)5/h6-7,9,15,17-19H,2,8,10-13H2,1,3-5H3/b7-6-,16-9+/t17?,18-/m0/s1
InChIKeyCQGVEGLRMYFQDF-FXXKCANGSA-N
MW261.45 g/mol
LogP4.87
Rot. Bonds6

About (3R)-N-[[(3E)-3-[(Z)-but-2-enylidene]cyclohexyl]methyl]-2,4-dimethylpent-1-en-3-amine

(3R)-N-[[(3E)-3-[(Z)-but-2-enylidene]cyclohexyl]methyl]-2,4-dimethylpent-1-en-3-amine (PubChem CID 88588511) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is (3R)-N-[[(3E)-3-[(Z)-but-2-enylidene]cyclohexyl]methyl]-2,4-dimethylpent-1-en-3-amine.

Molecular Properties

Compound Name(3R)-N-[[(3E)-3-[(Z)-but-2-enylidene]cyclohexyl]methyl]-2,4-dimethylpent-1-en-3-amine
PubChem CID88588511
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name(3R)-N-[[(3E)-3-[(Z)-but-2-enylidene]cyclohexyl]methyl]-2,4-dimethylpent-1-en-3-amine
SMILESC=C(C)[C@H](NCC1CCC/C(=C\C=C/C)C1)C(C)C
InChIInChI=1S/C18H31N/c1-6-7-9-16-10-8-11-17(12-16)13-19-18(14(2)3)15(4)5/h6-7,9,15,17-19H,2,8,10-13H2,1,3-5H3/b7-6-,16-9+/t17?,18-/m0/s1
InChIKeyCQGVEGLRMYFQDF-FXXKCANGSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[(3E)-3-[(Z)-but-2-enylidene]cyclohexyl]methyl]-2,4-dimethylpent-1-en-3-amine?
The IUPAC name of (3R)-N-[[(3E)-3-[(Z)-but-2-enylidene]cyclohexyl]methyl]-2,4-dimethylpent-1-en-3-amine (CID 88588511) is (3R)-N-[[(3E)-3-[(Z)-but-2-enylidene]cyclohexyl]methyl]-2,4-dimethylpent-1-en-3-amine.
What is the SMILES notation for (3R)-N-[[(3E)-3-[(Z)-but-2-enylidene]cyclohexyl]methyl]-2,4-dimethylpent-1-en-3-amine?
The canonical SMILES for (3R)-N-[[(3E)-3-[(Z)-but-2-enylidene]cyclohexyl]methyl]-2,4-dimethylpent-1-en-3-amine is C=C(C)[C@H](NCC1CCC/C(=C\C=C/C)C1)C(C)C.
What is the InChIKey of (3R)-N-[[(3E)-3-[(Z)-but-2-enylidene]cyclohexyl]methyl]-2,4-dimethylpent-1-en-3-amine?
The InChIKey is CQGVEGLRMYFQDF-FXXKCANGSA-N. The full InChI is InChI=1S/C18H31N/c1-6-7-9-16-10-8-11-17(12-16)13-19-18(14(2)3)15(4)5/h6-7,9,15,17-19H,2,8,10-13H2,1,3-5H3/b7-6-,16-9+/t17?,18-/m0/s1.
What are the key properties of (3R)-N-[[(3E)-3-[(Z)-but-2-enylidene]cyclohexyl]methyl]-2,4-dimethylpent-1-en-3-amine?
(3R)-N-[[(3E)-3-[(Z)-but-2-enylidene]cyclohexyl]methyl]-2,4-dimethylpent-1-en-3-amine has a molecular weight of 261.45 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[(3E)-3-[(Z)-but-2-enylidene]cyclohexyl]methyl]-2,4-dimethylpent-1-en-3-amine is sourced from PubChem (CID 88588511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).