(Z)-N-[(2S)-but-3-en-2-yl]-2,7-dimethyloct-5-en-1-amine

C14H27N — CID 174102743

IUPAC(Z)-N-[(2S)-but-3-en-2-yl]-2,7-dimethyloct-5-en-1-amine
SMILESC=C[C@H](C)NCC(C)CC/C=C\C(C)C
InChIInChI=1S/C14H27N/c1-6-14(5)15-11-13(4)10-8-7-9-12(2)3/h6-7,9,12-15H,1,8,10-11H2,2-5H3/b9-7-/t13?,14-/m0/s1
InChIKeyOODOBFOPCQUXJL-DPGPRNPXSA-N
MW209.38 g/mol
LogP3.78
Rot. Bonds8

About (Z)-N-[(2S)-but-3-en-2-yl]-2,7-dimethyloct-5-en-1-amine

(Z)-N-[(2S)-but-3-en-2-yl]-2,7-dimethyloct-5-en-1-amine (PubChem CID 174102743) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (Z)-N-[(2S)-but-3-en-2-yl]-2,7-dimethyloct-5-en-1-amine.

Molecular Properties

Compound Name(Z)-N-[(2S)-but-3-en-2-yl]-2,7-dimethyloct-5-en-1-amine
PubChem CID174102743
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(Z)-N-[(2S)-but-3-en-2-yl]-2,7-dimethyloct-5-en-1-amine
SMILESC=C[C@H](C)NCC(C)CC/C=C\C(C)C
InChIInChI=1S/C14H27N/c1-6-14(5)15-11-13(4)10-8-7-9-12(2)3/h6-7,9,12-15H,1,8,10-11H2,2-5H3/b9-7-/t13?,14-/m0/s1
InChIKeyOODOBFOPCQUXJL-DPGPRNPXSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-N-[(2S)-but-3-en-2-yl]-2,7-dimethyloct-5-en-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(3,7,11-Trimethyl-dodeca-2,6,10-trienyl)-(2,6,10-trimethyl-undeca-5,9-dienyl)-amine
CID 10431909
2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
(2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2063692
6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
4-Hexenylamine, N,1,2,5-tetramethyl-
CID 49627
Ethylamine, N-allyl-2-(2-cyclopentenyl)-1-methyl-
CID 49661
Ethylamine, 2-(2-cyclopentenyl)-N,1-dimethyl-
CID 49662
3-Cyclohexene-1-methylamine, N-cyclopropyl-
CID 204181
4-Hexenylamine, N,1-dimethyl-
CID 6435019
N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentanamine
CID 164620837
Pyridine, 1,2,5,6-tetrahydro-4-isopropyl-
CID 23423759
(2,6-Dimethylhept-5-en-1-yl)(methyl)amine
CID 146817482

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2S)-but-3-en-2-yl]-2,7-dimethyloct-5-en-1-amine?
The IUPAC name of (Z)-N-[(2S)-but-3-en-2-yl]-2,7-dimethyloct-5-en-1-amine (CID 174102743) is (Z)-N-[(2S)-but-3-en-2-yl]-2,7-dimethyloct-5-en-1-amine.
What is the SMILES notation for (Z)-N-[(2S)-but-3-en-2-yl]-2,7-dimethyloct-5-en-1-amine?
The canonical SMILES for (Z)-N-[(2S)-but-3-en-2-yl]-2,7-dimethyloct-5-en-1-amine is C=C[C@H](C)NCC(C)CC/C=C\C(C)C.
What is the InChIKey of (Z)-N-[(2S)-but-3-en-2-yl]-2,7-dimethyloct-5-en-1-amine?
The InChIKey is OODOBFOPCQUXJL-DPGPRNPXSA-N. The full InChI is InChI=1S/C14H27N/c1-6-14(5)15-11-13(4)10-8-7-9-12(2)3/h6-7,9,12-15H,1,8,10-11H2,2-5H3/b9-7-/t13?,14-/m0/s1.
What are the key properties of (Z)-N-[(2S)-but-3-en-2-yl]-2,7-dimethyloct-5-en-1-amine?
(Z)-N-[(2S)-but-3-en-2-yl]-2,7-dimethyloct-5-en-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2S)-but-3-en-2-yl]-2,7-dimethyloct-5-en-1-amine is sourced from PubChem (CID 174102743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).