(Z)-3-[(2S)-2,3-dimethylbutyl]-6-methyl-N-[(3R)-2,2,4-trimethylpentan-3-yl]dec-7-en-2-amine

C25H51N — CID 122500269

IUPAC(Z)-3-[(2S)-2,3-dimethylbutyl]-6-methyl-N-[(3R)-2,2,4-trimethylpentan-3-yl]dec-7-en-2-amine
SMILESCC/C=C\C(C)CCC(C[C@H](C)C(C)C)C(C)N[C@H](C(C)C)C(C)(C)C
InChIInChI=1S/C25H51N/c1-12-13-14-20(6)15-16-23(17-21(7)18(2)3)22(8)26-24(19(4)5)25(9,10)11/h13-14,18-24,26H,12,15-17H2,1-11H3/b14-13-/t20?,21-,22?,23?,24+/m0/s1
InChIKeyVVCIHIGFZXPEKU-OROLDSDYSA-N
MW365.69 g/mol
LogP7.72
Rot. Bonds12

About (Z)-3-[(2S)-2,3-dimethylbutyl]-6-methyl-N-[(3R)-2,2,4-trimethylpentan-3-yl]dec-7-en-2-amine

(Z)-3-[(2S)-2,3-dimethylbutyl]-6-methyl-N-[(3R)-2,2,4-trimethylpentan-3-yl]dec-7-en-2-amine (PubChem CID 122500269) has the molecular formula C25H51N and a molecular weight of 365.69 g/mol. Its IUPAC name is (Z)-3-[(2S)-2,3-dimethylbutyl]-6-methyl-N-[(3R)-2,2,4-trimethylpentan-3-yl]dec-7-en-2-amine.

Molecular Properties

Compound Name(Z)-3-[(2S)-2,3-dimethylbutyl]-6-methyl-N-[(3R)-2,2,4-trimethylpentan-3-yl]dec-7-en-2-amine
PubChem CID122500269
Molecular FormulaC25H51N
Molecular Weight365.69 g/mol
Exact Mass365.40
IUPAC Name(Z)-3-[(2S)-2,3-dimethylbutyl]-6-methyl-N-[(3R)-2,2,4-trimethylpentan-3-yl]dec-7-en-2-amine
SMILESCC/C=C\C(C)CCC(C[C@H](C)C(C)C)C(C)N[C@H](C(C)C)C(C)(C)C
InChIInChI=1S/C25H51N/c1-12-13-14-20(6)15-16-23(17-21(7)18(2)3)22(8)26-24(19(4)5)25(9,10)11/h13-14,18-24,26H,12,15-17H2,1-11H3/b14-13-/t20?,21-,22?,23?,24+/m0/s1
InChIKeyVVCIHIGFZXPEKU-OROLDSDYSA-N
XLogP7.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.69
LogP ≤ 57.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-3-[(2S)-2,3-dimethylbutyl]-6-methyl-N-[(3R)-2,2,4-trimethylpentan-3-yl]dec-7-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(2S)-2,3-dimethylbutyl]-6-methyl-N-[(3R)-2,2,4-trimethylpentan-3-yl]dec-7-en-2-amine?
The IUPAC name of (Z)-3-[(2S)-2,3-dimethylbutyl]-6-methyl-N-[(3R)-2,2,4-trimethylpentan-3-yl]dec-7-en-2-amine (CID 122500269) is (Z)-3-[(2S)-2,3-dimethylbutyl]-6-methyl-N-[(3R)-2,2,4-trimethylpentan-3-yl]dec-7-en-2-amine.
What is the SMILES notation for (Z)-3-[(2S)-2,3-dimethylbutyl]-6-methyl-N-[(3R)-2,2,4-trimethylpentan-3-yl]dec-7-en-2-amine?
The canonical SMILES for (Z)-3-[(2S)-2,3-dimethylbutyl]-6-methyl-N-[(3R)-2,2,4-trimethylpentan-3-yl]dec-7-en-2-amine is CC/C=C\C(C)CCC(C[C@H](C)C(C)C)C(C)N[C@H](C(C)C)C(C)(C)C.
What is the InChIKey of (Z)-3-[(2S)-2,3-dimethylbutyl]-6-methyl-N-[(3R)-2,2,4-trimethylpentan-3-yl]dec-7-en-2-amine?
The InChIKey is VVCIHIGFZXPEKU-OROLDSDYSA-N. The full InChI is InChI=1S/C25H51N/c1-12-13-14-20(6)15-16-23(17-21(7)18(2)3)22(8)26-24(19(4)5)25(9,10)11/h13-14,18-24,26H,12,15-17H2,1-11H3/b14-13-/t20?,21-,22?,23?,24+/m0/s1.
What are the key properties of (Z)-3-[(2S)-2,3-dimethylbutyl]-6-methyl-N-[(3R)-2,2,4-trimethylpentan-3-yl]dec-7-en-2-amine?
(Z)-3-[(2S)-2,3-dimethylbutyl]-6-methyl-N-[(3R)-2,2,4-trimethylpentan-3-yl]dec-7-en-2-amine has a molecular weight of 365.69 g/mol, XLogP of 7.72, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(2S)-2,3-dimethylbutyl]-6-methyl-N-[(3R)-2,2,4-trimethylpentan-3-yl]dec-7-en-2-amine is sourced from PubChem (CID 122500269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).