(Z)-3,7-diethyl-N-propan-2-yl-6-propan-2-yliminonon-4-en-4-amine

C19H38N2 — CID 167427557

IUPAC(Z)-3,7-diethyl-N-propan-2-yl-6-propan-2-yliminonon-4-en-4-amine
SMILESCCC(CC)/C(=C/C(=N/C(C)C)C(CC)CC)NC(C)C
InChIInChI=1S/C19H38N2/c1-9-16(10-2)18(20-14(5)6)13-19(21-15(7)8)17(11-3)12-4/h13-17,20H,9-12H2,1-8H3/b18-13-,21-19-
InChIKeyQGEPPBYGBRSHPQ-DRYAPFCNSA-N
MW294.53 g/mol
LogP5.59
Rot. Bonds10

About (Z)-3,7-diethyl-N-propan-2-yl-6-propan-2-yliminonon-4-en-4-amine

(Z)-3,7-diethyl-N-propan-2-yl-6-propan-2-yliminonon-4-en-4-amine (PubChem CID 167427557) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is (Z)-3,7-diethyl-N-propan-2-yl-6-propan-2-yliminonon-4-en-4-amine.

Molecular Properties

Compound Name(Z)-3,7-diethyl-N-propan-2-yl-6-propan-2-yliminonon-4-en-4-amine
PubChem CID167427557
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name(Z)-3,7-diethyl-N-propan-2-yl-6-propan-2-yliminonon-4-en-4-amine
SMILESCCC(CC)/C(=C/C(=N/C(C)C)C(CC)CC)NC(C)C
InChIInChI=1S/C19H38N2/c1-9-16(10-2)18(20-14(5)6)13-19(21-15(7)8)17(11-3)12-4/h13-17,20H,9-12H2,1-8H3/b18-13-,21-19-
InChIKeyQGEPPBYGBRSHPQ-DRYAPFCNSA-N
XLogP5.59
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.53
LogP ≤ 55.59
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)-3,7-diethyl-N-propan-2-yl-6-propan-2-yliminonon-4-en-4-amine?
The IUPAC name of (Z)-3,7-diethyl-N-propan-2-yl-6-propan-2-yliminonon-4-en-4-amine (CID 167427557) is (Z)-3,7-diethyl-N-propan-2-yl-6-propan-2-yliminonon-4-en-4-amine.
What is the SMILES notation for (Z)-3,7-diethyl-N-propan-2-yl-6-propan-2-yliminonon-4-en-4-amine?
The canonical SMILES for (Z)-3,7-diethyl-N-propan-2-yl-6-propan-2-yliminonon-4-en-4-amine is CCC(CC)/C(=C/C(=N/C(C)C)C(CC)CC)NC(C)C.
What is the InChIKey of (Z)-3,7-diethyl-N-propan-2-yl-6-propan-2-yliminonon-4-en-4-amine?
The InChIKey is QGEPPBYGBRSHPQ-DRYAPFCNSA-N. The full InChI is InChI=1S/C19H38N2/c1-9-16(10-2)18(20-14(5)6)13-19(21-15(7)8)17(11-3)12-4/h13-17,20H,9-12H2,1-8H3/b18-13-,21-19-.
What are the key properties of (Z)-3,7-diethyl-N-propan-2-yl-6-propan-2-yliminonon-4-en-4-amine?
(Z)-3,7-diethyl-N-propan-2-yl-6-propan-2-yliminonon-4-en-4-amine has a molecular weight of 294.53 g/mol, XLogP of 5.59, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,7-diethyl-N-propan-2-yl-6-propan-2-yliminonon-4-en-4-amine is sourced from PubChem (CID 167427557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).