(1Z)-1-N,2-N,4-trimethyl-3-methylidene-2-N-propan-2-ylpenta-1,4-diene-1,2-diamine

C12H22N2 — CID 170244413

IUPAC(1Z)-1-N,2-N,4-trimethyl-3-methylidene-2-N-propan-2-ylpenta-1,4-diene-1,2-diamine
SMILESC=C(C)C(=C)/C(=C/NC)N(C)C(C)C
InChIInChI=1S/C12H22N2/c1-9(2)11(5)12(8-13-6)14(7)10(3)4/h8,10,13H,1,5H2,2-4,6-7H3/b12-8-
InChIKeyWJISOMPCYBJPPB-WQLSENKSSA-N
MW194.32 g/mol
LogP2.52
Rot. Bonds5

About (1Z)-1-N,2-N,4-trimethyl-3-methylidene-2-N-propan-2-ylpenta-1,4-diene-1,2-diamine

(1Z)-1-N,2-N,4-trimethyl-3-methylidene-2-N-propan-2-ylpenta-1,4-diene-1,2-diamine (PubChem CID 170244413) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (1Z)-1-N,2-N,4-trimethyl-3-methylidene-2-N-propan-2-ylpenta-1,4-diene-1,2-diamine.

Molecular Properties

Compound Name(1Z)-1-N,2-N,4-trimethyl-3-methylidene-2-N-propan-2-ylpenta-1,4-diene-1,2-diamine
PubChem CID170244413
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(1Z)-1-N,2-N,4-trimethyl-3-methylidene-2-N-propan-2-ylpenta-1,4-diene-1,2-diamine
SMILESC=C(C)C(=C)/C(=C/NC)N(C)C(C)C
InChIInChI=1S/C12H22N2/c1-9(2)11(5)12(8-13-6)14(7)10(3)4/h8,10,13H,1,5H2,2-4,6-7H3/b12-8-
InChIKeyWJISOMPCYBJPPB-WQLSENKSSA-N
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N'-methyl-1-N-(3-methylbuta-1,3-dien-2-yl)-1-N'-propan-2-ylethene-1,1-diamine
CID 167064858
(3E)-N-methyl-N-propan-2-ylpenta-1,3-dien-2-amine
CID 130272029
2,4-dimethyl-3-methylidenepenta-1,4-diene
CID 12913413
N-methyl-2-(2-methylprop-2-enylamino)-N-propan-2-ylacetamide
CID 114616817
(1Z)-2-tert-butyl-N,3-dimethylbuta-1,3-dien-1-amine
CID 129132612
N,3-dimethyl-N-propan-2-ylhexa-1,5-dien-2-amine
CID 123847432
(3E,5Z)-N,3-dimethyl-N,5-di(propan-2-yl)octa-1,3,5-trien-2-amine
CID 167069160
3,3,3-trifluoro-N-methyl-N-propan-2-ylprop-1-en-2-amine
CID 167040136
(3Z)-4-methyl-3-(methylaminomethylidene)penta-1,4-diene-2-thiol
CID 146552473
2-[methyl(propan-2-yl)amino]prop-2-enoic acid
CID 174803803
(2E)-N,5-dimethyl-N-propan-2-ylhexa-2,4-dien-2-amine
CID 135231461
1-N'-butan-2-yl-1-N,1-N'-dimethyl-1-N-propan-2-ylethene-1,1-diamine
CID 170109208

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-N,2-N,4-trimethyl-3-methylidene-2-N-propan-2-ylpenta-1,4-diene-1,2-diamine?
The IUPAC name of (1Z)-1-N,2-N,4-trimethyl-3-methylidene-2-N-propan-2-ylpenta-1,4-diene-1,2-diamine (CID 170244413) is (1Z)-1-N,2-N,4-trimethyl-3-methylidene-2-N-propan-2-ylpenta-1,4-diene-1,2-diamine.
What is the SMILES notation for (1Z)-1-N,2-N,4-trimethyl-3-methylidene-2-N-propan-2-ylpenta-1,4-diene-1,2-diamine?
The canonical SMILES for (1Z)-1-N,2-N,4-trimethyl-3-methylidene-2-N-propan-2-ylpenta-1,4-diene-1,2-diamine is C=C(C)C(=C)/C(=C/NC)N(C)C(C)C.
What is the InChIKey of (1Z)-1-N,2-N,4-trimethyl-3-methylidene-2-N-propan-2-ylpenta-1,4-diene-1,2-diamine?
The InChIKey is WJISOMPCYBJPPB-WQLSENKSSA-N. The full InChI is InChI=1S/C12H22N2/c1-9(2)11(5)12(8-13-6)14(7)10(3)4/h8,10,13H,1,5H2,2-4,6-7H3/b12-8-.
What are the key properties of (1Z)-1-N,2-N,4-trimethyl-3-methylidene-2-N-propan-2-ylpenta-1,4-diene-1,2-diamine?
(1Z)-1-N,2-N,4-trimethyl-3-methylidene-2-N-propan-2-ylpenta-1,4-diene-1,2-diamine has a molecular weight of 194.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-N,2-N,4-trimethyl-3-methylidene-2-N-propan-2-ylpenta-1,4-diene-1,2-diamine is sourced from PubChem (CID 170244413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).