(Z)-3-[4-methyl-2-(2-methylpropyl)pentyl]iminoprop-1-en-1-amine

C13H26N2 — CID 178004372

IUPAC(Z)-3-[4-methyl-2-(2-methylpropyl)pentyl]iminoprop-1-en-1-amine
SMILESCC(C)CC(C/N=C/C=C\N)CC(C)C
InChIInChI=1S/C13H26N2/c1-11(2)8-13(9-12(3)4)10-15-7-5-6-14/h5-7,11-13H,8-10,14H2,1-4H3/b6-5-,15-7+
InChIKeySQQSVQMKCHPKJG-LPWWCAIVSA-N
MW210.37 g/mol
LogP3.24
Rot. Bonds7

About (Z)-3-[4-methyl-2-(2-methylpropyl)pentyl]iminoprop-1-en-1-amine

(Z)-3-[4-methyl-2-(2-methylpropyl)pentyl]iminoprop-1-en-1-amine (PubChem CID 178004372) has the molecular formula C13H26N2 and a molecular weight of 210.37 g/mol. Its IUPAC name is (Z)-3-[4-methyl-2-(2-methylpropyl)pentyl]iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-[4-methyl-2-(2-methylpropyl)pentyl]iminoprop-1-en-1-amine
PubChem CID178004372
Molecular FormulaC13H26N2
Molecular Weight210.37 g/mol
Exact Mass210.21
IUPAC Name(Z)-3-[4-methyl-2-(2-methylpropyl)pentyl]iminoprop-1-en-1-amine
SMILESCC(C)CC(C/N=C/C=C\N)CC(C)C
InChIInChI=1S/C13H26N2/c1-11(2)8-13(9-12(3)4)10-15-7-5-6-14/h5-7,11-13H,8-10,14H2,1-4H3/b6-5-,15-7+
InChIKeySQQSVQMKCHPKJG-LPWWCAIVSA-N
XLogP3.24
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(3-propyldec-1-en-2-ylimino)prop-1-en-1-amine
CID 130434045
7-Ethenylimino-6-methylheptan-1-amine
CID 156349428
3-(3-Methylbutylimino)prop-1-en-1-amine
CID 173760823
3-Hexyliminoprop-1-en-1-amine
CID 173790607
(Z)-3-[2-[(1R)-2-cyclopropylcyclopropyl]ethylimino]prop-1-en-1-amine
CID 177151849
(Z)-3-(2-methylheptan-4-ylimino)prop-1-en-1-amine
CID 177155781
(Z)-3-(5-methylhexan-3-ylimino)prop-1-en-1-amine
CID 178004465

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-methyl-2-(2-methylpropyl)pentyl]iminoprop-1-en-1-amine?
The IUPAC name of (Z)-3-[4-methyl-2-(2-methylpropyl)pentyl]iminoprop-1-en-1-amine (CID 178004372) is (Z)-3-[4-methyl-2-(2-methylpropyl)pentyl]iminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-3-[4-methyl-2-(2-methylpropyl)pentyl]iminoprop-1-en-1-amine?
The canonical SMILES for (Z)-3-[4-methyl-2-(2-methylpropyl)pentyl]iminoprop-1-en-1-amine is CC(C)CC(C/N=C/C=C\N)CC(C)C.
What is the InChIKey of (Z)-3-[4-methyl-2-(2-methylpropyl)pentyl]iminoprop-1-en-1-amine?
The InChIKey is SQQSVQMKCHPKJG-LPWWCAIVSA-N. The full InChI is InChI=1S/C13H26N2/c1-11(2)8-13(9-12(3)4)10-15-7-5-6-14/h5-7,11-13H,8-10,14H2,1-4H3/b6-5-,15-7+.
What are the key properties of (Z)-3-[4-methyl-2-(2-methylpropyl)pentyl]iminoprop-1-en-1-amine?
(Z)-3-[4-methyl-2-(2-methylpropyl)pentyl]iminoprop-1-en-1-amine has a molecular weight of 210.37 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-methyl-2-(2-methylpropyl)pentyl]iminoprop-1-en-1-amine is sourced from PubChem (CID 178004372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).