(1Z,3Z)-2-propan-2-ylbuta-1,3-diene-1,4-diamine

C7H14N2 — CID 59966833

IUPAC(1Z,3Z)-2-propan-2-ylbuta-1,3-diene-1,4-diamine
SMILESCC(C)C(/C=C\N)=C/N
InChIInChI=1S/C7H14N2/c1-6(2)7(5-9)3-4-8/h3-6H,8-9H2,1-2H3/b4-3-,7-5+
InChIKeyPWUARVMYCBVZPQ-QVXLNCAUSA-N
MW126.20 g/mol
LogP0.96
Rot. Bonds2

About (1Z,3Z)-2-propan-2-ylbuta-1,3-diene-1,4-diamine

(1Z,3Z)-2-propan-2-ylbuta-1,3-diene-1,4-diamine (PubChem CID 59966833) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (1Z,3Z)-2-propan-2-ylbuta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1Z,3Z)-2-propan-2-ylbuta-1,3-diene-1,4-diamine
PubChem CID59966833
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(1Z,3Z)-2-propan-2-ylbuta-1,3-diene-1,4-diamine
SMILESCC(C)C(/C=C\N)=C/N
InChIInChI=1S/C7H14N2/c1-6(2)7(5-9)3-4-8/h3-6H,8-9H2,1-2H3/b4-3-,7-5+
InChIKeyPWUARVMYCBVZPQ-QVXLNCAUSA-N
XLogP0.96
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Isoamylenamin
CID 53405416
Isoprene amine
CID 55285509
1-Amino-3-methylbuta-1,3-diene
CID 57682486
(1Z)-2-methylbuta-1,3-dien-1-amine
CID 129888072
(r)-4-Methyl-hex-1-ene amine
CID 129733084
(s)-4-Methyl-hex-1-ene amine
CID 129733144
(Z)-5,5,5-trifluoro-4-methyl-3-methylidenepent-1-en-1-amine
CID 162593872
(Z)-3-methylbut-1-en-1-amine
CID 59444090
4-Propan-2-yl-1,2-dihydropyridazine
CID 59945715
2-Methylbuta-1,3-dien-1-amine
CID 76223830
5-Methylhex-1-en-1-amine
CID 87108942
(E)-3-methylbut-1-en-1-amine
CID 87499122

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-2-propan-2-ylbuta-1,3-diene-1,4-diamine?
The IUPAC name of (1Z,3Z)-2-propan-2-ylbuta-1,3-diene-1,4-diamine (CID 59966833) is (1Z,3Z)-2-propan-2-ylbuta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1Z,3Z)-2-propan-2-ylbuta-1,3-diene-1,4-diamine?
The canonical SMILES for (1Z,3Z)-2-propan-2-ylbuta-1,3-diene-1,4-diamine is CC(C)C(/C=C\N)=C/N.
What is the InChIKey of (1Z,3Z)-2-propan-2-ylbuta-1,3-diene-1,4-diamine?
The InChIKey is PWUARVMYCBVZPQ-QVXLNCAUSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2)7(5-9)3-4-8/h3-6H,8-9H2,1-2H3/b4-3-,7-5+.
What are the key properties of (1Z,3Z)-2-propan-2-ylbuta-1,3-diene-1,4-diamine?
(1Z,3Z)-2-propan-2-ylbuta-1,3-diene-1,4-diamine has a molecular weight of 126.20 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-2-propan-2-ylbuta-1,3-diene-1,4-diamine is sourced from PubChem (CID 59966833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).