(Z)-N-(2,3-dimethylpentyl)-2-methylhept-3-en-3-amine

C15H31N — CID 130387950

IUPAC(Z)-N-(2,3-dimethylpentyl)-2-methylhept-3-en-3-amine
SMILESCCC/C=C(\NCC(C)C(C)CC)C(C)C
InChIInChI=1S/C15H31N/c1-7-9-10-15(12(3)4)16-11-14(6)13(5)8-2/h10,12-14,16H,7-9,11H2,1-6H3/b15-10-
InChIKeyAGEWLKMHKBAZAO-GDNBJRDFSA-N
MW225.42 g/mol
LogP4.60
Rot. Bonds8

About (Z)-N-(2,3-dimethylpentyl)-2-methylhept-3-en-3-amine

(Z)-N-(2,3-dimethylpentyl)-2-methylhept-3-en-3-amine (PubChem CID 130387950) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is (Z)-N-(2,3-dimethylpentyl)-2-methylhept-3-en-3-amine.

Molecular Properties

Compound Name(Z)-N-(2,3-dimethylpentyl)-2-methylhept-3-en-3-amine
PubChem CID130387950
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name(Z)-N-(2,3-dimethylpentyl)-2-methylhept-3-en-3-amine
SMILESCCC/C=C(\NCC(C)C(C)CC)C(C)C
InChIInChI=1S/C15H31N/c1-7-9-10-15(12(3)4)16-11-14(6)13(5)8-2/h10,12-14,16H,7-9,11H2,1-6H3/b15-10-
InChIKeyAGEWLKMHKBAZAO-GDNBJRDFSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2,3-dimethylpentyl)-2-methylhept-3-en-3-amine?
The IUPAC name of (Z)-N-(2,3-dimethylpentyl)-2-methylhept-3-en-3-amine (CID 130387950) is (Z)-N-(2,3-dimethylpentyl)-2-methylhept-3-en-3-amine.
What is the SMILES notation for (Z)-N-(2,3-dimethylpentyl)-2-methylhept-3-en-3-amine?
The canonical SMILES for (Z)-N-(2,3-dimethylpentyl)-2-methylhept-3-en-3-amine is CCC/C=C(\NCC(C)C(C)CC)C(C)C.
What is the InChIKey of (Z)-N-(2,3-dimethylpentyl)-2-methylhept-3-en-3-amine?
The InChIKey is AGEWLKMHKBAZAO-GDNBJRDFSA-N. The full InChI is InChI=1S/C15H31N/c1-7-9-10-15(12(3)4)16-11-14(6)13(5)8-2/h10,12-14,16H,7-9,11H2,1-6H3/b15-10-.
What are the key properties of (Z)-N-(2,3-dimethylpentyl)-2-methylhept-3-en-3-amine?
(Z)-N-(2,3-dimethylpentyl)-2-methylhept-3-en-3-amine has a molecular weight of 225.42 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2,3-dimethylpentyl)-2-methylhept-3-en-3-amine is sourced from PubChem (CID 130387950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).