(1Z)-4-methyl-1-N',1-N'-bis(prop-2-enyl)-1-N,1-N-dipropylpenta-1,3-diene-1,1-diamine

C18H32N2 — CID 134923712

IUPAC(1Z)-4-methyl-1-N',1-N'-bis(prop-2-enyl)-1-N,1-N-dipropylpenta-1,3-diene-1,1-diamine
SMILESC=CCN(CC=C)/C(=C\C=C(C)C)N(CCC)CCC
InChIInChI=1S/C18H32N2/c1-7-13-19(14-8-2)18(12-11-17(5)6)20(15-9-3)16-10-4/h7-8,11-12H,1-2,9-10,13-16H2,3-6H3/b18-12+
InChIKeyIVPKOMLBLMIIKI-LDADJPATSA-N
MW276.47 g/mol
LogP4.59
Rot. Bonds11

About (1Z)-4-methyl-1-N',1-N'-bis(prop-2-enyl)-1-N,1-N-dipropylpenta-1,3-diene-1,1-diamine

(1Z)-4-methyl-1-N',1-N'-bis(prop-2-enyl)-1-N,1-N-dipropylpenta-1,3-diene-1,1-diamine (PubChem CID 134923712) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is (1Z)-4-methyl-1-N',1-N'-bis(prop-2-enyl)-1-N,1-N-dipropylpenta-1,3-diene-1,1-diamine.

Molecular Properties

Compound Name(1Z)-4-methyl-1-N',1-N'-bis(prop-2-enyl)-1-N,1-N-dipropylpenta-1,3-diene-1,1-diamine
PubChem CID134923712
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name(1Z)-4-methyl-1-N',1-N'-bis(prop-2-enyl)-1-N,1-N-dipropylpenta-1,3-diene-1,1-diamine
SMILESC=CCN(CC=C)/C(=C\C=C(C)C)N(CCC)CCC
InChIInChI=1S/C18H32N2/c1-7-13-19(14-8-2)18(12-11-17(5)6)20(15-9-3)16-10-4/h7-8,11-12H,1-2,9-10,13-16H2,3-6H3/b18-12+
InChIKeyIVPKOMLBLMIIKI-LDADJPATSA-N
XLogP4.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1Z)-4-methyl-1-N',1-N'-bis(prop-2-enyl)-1-N,1-N-dipropylpenta-1,3-diene-1,1-diamine with MolForge

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

Launch Full Analysis

Related Compounds

(1Z)-1-N'-butyl-1-N'-hept-2-ynyl-4-methyl-1-N,1-N-dipropylpenta-1,3-diene-1,1-diamine
CID 134923713
(1Z)-1-N,1-N-diethyl-4-methyl-1-N',1-N'-bis(prop-2-enyl)penta-1,3-diene-1,1-diamine
CID 134923782
1-methyl-N,N-dipropyl-2H-pyridin-6-amine
CID 56612432
N,N-diethyl-1-methyl-2H-pyridin-6-amine
CID 56633490
3-N-[[ethyl(methyl)amino]methyl]-1-N,3-N-dimethyl-1-N-(5-methylhexa-2,4-dien-2-yl)butane-1,3-diamine
CID 123297227
N,N-diethyl-1,3-dimethyl-2H-pyridin-6-amine
CID 156227232
N-[(2Z,4Z)-hexa-2,4-dienyl]-1-methyl-N-prop-2-enyl-2H-pyridin-6-amine
CID 143216483
1-(2,2-dimethylpropyl)-N,N-dimethyl-2H-pyridin-2-amine
CID 176248354

Frequently Asked Questions

What is the IUPAC name of (1Z)-4-methyl-1-N',1-N'-bis(prop-2-enyl)-1-N,1-N-dipropylpenta-1,3-diene-1,1-diamine?
The IUPAC name of (1Z)-4-methyl-1-N',1-N'-bis(prop-2-enyl)-1-N,1-N-dipropylpenta-1,3-diene-1,1-diamine (CID 134923712) is (1Z)-4-methyl-1-N',1-N'-bis(prop-2-enyl)-1-N,1-N-dipropylpenta-1,3-diene-1,1-diamine.
What is the SMILES notation for (1Z)-4-methyl-1-N',1-N'-bis(prop-2-enyl)-1-N,1-N-dipropylpenta-1,3-diene-1,1-diamine?
The canonical SMILES for (1Z)-4-methyl-1-N',1-N'-bis(prop-2-enyl)-1-N,1-N-dipropylpenta-1,3-diene-1,1-diamine is C=CCN(CC=C)/C(=C\C=C(C)C)N(CCC)CCC.
What is the InChIKey of (1Z)-4-methyl-1-N',1-N'-bis(prop-2-enyl)-1-N,1-N-dipropylpenta-1,3-diene-1,1-diamine?
The InChIKey is IVPKOMLBLMIIKI-LDADJPATSA-N. The full InChI is InChI=1S/C18H32N2/c1-7-13-19(14-8-2)18(12-11-17(5)6)20(15-9-3)16-10-4/h7-8,11-12H,1-2,9-10,13-16H2,3-6H3/b18-12+.
What are the key properties of (1Z)-4-methyl-1-N',1-N'-bis(prop-2-enyl)-1-N,1-N-dipropylpenta-1,3-diene-1,1-diamine?
(1Z)-4-methyl-1-N',1-N'-bis(prop-2-enyl)-1-N,1-N-dipropylpenta-1,3-diene-1,1-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.59, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-4-methyl-1-N',1-N'-bis(prop-2-enyl)-1-N,1-N-dipropylpenta-1,3-diene-1,1-diamine is sourced from PubChem (CID 134923712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).