(Z)-2,4-dimethyl-3-(3-methylheptan-3-ylimino)pent-1-en-1-amine

C15H30N2 — CID 171506297

IUPAC(Z)-2,4-dimethyl-3-(3-methylheptan-3-ylimino)pent-1-en-1-amine
SMILESCCCCC(C)(CC)/N=C(C(/C)=C\N)\C(C)C
InChIInChI=1S/C15H30N2/c1-7-9-10-15(6,8-2)17-14(12(3)4)13(5)11-16/h11-12H,7-10,16H2,1-6H3/b13-11-,17-14+
InChIKeyBSOXCVXPBDITOO-YROUWHAASA-N
MW238.42 g/mol
LogP4.30
Rot. Bonds7

About (Z)-2,4-dimethyl-3-(3-methylheptan-3-ylimino)pent-1-en-1-amine

(Z)-2,4-dimethyl-3-(3-methylheptan-3-ylimino)pent-1-en-1-amine (PubChem CID 171506297) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is (Z)-2,4-dimethyl-3-(3-methylheptan-3-ylimino)pent-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2,4-dimethyl-3-(3-methylheptan-3-ylimino)pent-1-en-1-amine
PubChem CID171506297
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name(Z)-2,4-dimethyl-3-(3-methylheptan-3-ylimino)pent-1-en-1-amine
SMILESCCCCC(C)(CC)/N=C(C(/C)=C\N)\C(C)C
InChIInChI=1S/C15H30N2/c1-7-9-10-15(6,8-2)17-14(12(3)4)13(5)11-16/h11-12H,7-10,16H2,1-6H3/b13-11-,17-14+
InChIKeyBSOXCVXPBDITOO-YROUWHAASA-N
XLogP4.30
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,4-dimethyl-3-(3-methylheptan-3-ylimino)pent-1-en-1-amine?
The IUPAC name of (Z)-2,4-dimethyl-3-(3-methylheptan-3-ylimino)pent-1-en-1-amine (CID 171506297) is (Z)-2,4-dimethyl-3-(3-methylheptan-3-ylimino)pent-1-en-1-amine.
What is the SMILES notation for (Z)-2,4-dimethyl-3-(3-methylheptan-3-ylimino)pent-1-en-1-amine?
The canonical SMILES for (Z)-2,4-dimethyl-3-(3-methylheptan-3-ylimino)pent-1-en-1-amine is CCCCC(C)(CC)/N=C(C(/C)=C\N)\C(C)C.
What is the InChIKey of (Z)-2,4-dimethyl-3-(3-methylheptan-3-ylimino)pent-1-en-1-amine?
The InChIKey is BSOXCVXPBDITOO-YROUWHAASA-N. The full InChI is InChI=1S/C15H30N2/c1-7-9-10-15(6,8-2)17-14(12(3)4)13(5)11-16/h11-12H,7-10,16H2,1-6H3/b13-11-,17-14+.
What are the key properties of (Z)-2,4-dimethyl-3-(3-methylheptan-3-ylimino)pent-1-en-1-amine?
(Z)-2,4-dimethyl-3-(3-methylheptan-3-ylimino)pent-1-en-1-amine has a molecular weight of 238.42 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,4-dimethyl-3-(3-methylheptan-3-ylimino)pent-1-en-1-amine is sourced from PubChem (CID 171506297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).