(Z)-2,4,6-trimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine

C16H32N2 — CID 126613742

IUPAC(Z)-2,4,6-trimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
SMILESCC(=C(/NC(C)C)C(C)C)/C(=N/C(C)C)C(C)C
InChIInChI=1S/C16H32N2/c1-10(2)15(17-12(5)6)14(9)16(11(3)4)18-13(7)8/h10-13,17H,1-9H3/b15-14-,18-16+
InChIKeyCVBVIDRXQAQQKH-HWWDBJQCSA-N
MW252.45 g/mol
LogP4.42
Rot. Bonds6

About (Z)-2,4,6-trimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine

(Z)-2,4,6-trimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine (PubChem CID 126613742) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is (Z)-2,4,6-trimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine.

Molecular Properties

Compound Name(Z)-2,4,6-trimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
PubChem CID126613742
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name(Z)-2,4,6-trimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
SMILESCC(=C(/NC(C)C)C(C)C)/C(=N/C(C)C)C(C)C
InChIInChI=1S/C16H32N2/c1-10(2)15(17-12(5)6)14(9)16(11(3)4)18-13(7)8/h10-13,17H,1-9H3/b15-14-,18-16+
InChIKeyCVBVIDRXQAQQKH-HWWDBJQCSA-N
XLogP4.42
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 54.42
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)-2,4,6-trimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine?
The IUPAC name of (Z)-2,4,6-trimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine (CID 126613742) is (Z)-2,4,6-trimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine.
What is the SMILES notation for (Z)-2,4,6-trimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine?
The canonical SMILES for (Z)-2,4,6-trimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine is CC(=C(/NC(C)C)C(C)C)/C(=N/C(C)C)C(C)C.
What is the InChIKey of (Z)-2,4,6-trimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine?
The InChIKey is CVBVIDRXQAQQKH-HWWDBJQCSA-N. The full InChI is InChI=1S/C16H32N2/c1-10(2)15(17-12(5)6)14(9)16(11(3)4)18-13(7)8/h10-13,17H,1-9H3/b15-14-,18-16+.
What are the key properties of (Z)-2,4,6-trimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine?
(Z)-2,4,6-trimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine has a molecular weight of 252.45 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,4,6-trimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine is sourced from PubChem (CID 126613742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).