(3Z)-5-methylhexa-1,3-diene-2,5-diamine

C7H14N2 — CID 163565471

IUPAC(3Z)-5-methylhexa-1,3-diene-2,5-diamine
SMILESC=C(N)/C=C\C(C)(C)N
InChIInChI=1S/C7H14N2/c1-6(8)4-5-7(2,3)9/h4-5H,1,8-9H2,2-3H3/b5-4-
InChIKeyFUUQWJJKJXDJNV-PLNGDYQASA-N
MW126.20 g/mol
LogP0.75
Rot. Bonds2

About (3Z)-5-methylhexa-1,3-diene-2,5-diamine

(3Z)-5-methylhexa-1,3-diene-2,5-diamine (PubChem CID 163565471) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (3Z)-5-methylhexa-1,3-diene-2,5-diamine.

Molecular Properties

Compound Name(3Z)-5-methylhexa-1,3-diene-2,5-diamine
PubChem CID163565471
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(3Z)-5-methylhexa-1,3-diene-2,5-diamine
SMILESC=C(N)/C=C\C(C)(C)N
InChIInChI=1S/C7H14N2/c1-6(8)4-5-7(2,3)9/h4-5H,1,8-9H2,2-3H3/b5-4-
InChIKeyFUUQWJJKJXDJNV-PLNGDYQASA-N
XLogP0.75
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 ≤ 50.75
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

(E)-4-amino-4-methylpent-2-enoic acid
CID 23441306
2-methyl-4-methylidenehept-5-en-2-amine
CID 54241827
(3Z)-5-methylhexa-1,3,5-trien-2-amine
CID 87058792
(E)-4-amino-4-methylpent-2-enoic acid;2,2,2-trifluoroacetic acid
CID 155102501
ethyl 4-amino-4-methylpent-2-enoate
CID 175544882
(E)-2,5,5-trimethylhex-3-en-2-amine
CID 166660813
2-methyl-5-methylidenehept-6-en-2-amine
CID 126489894
3,3-dimethylbut-1-en-2-amine
CID 15393104
prop-1-en-2-amine;yttrium
CID 158882655
(3Z)-5-chlorohexa-1,3,5-trien-2-amine
CID 134351965
bis(2,3-dimethylbut-3-en-2-amine);dihydrochloride
CID 174877306
ethane;(3Z)-hexa-1,3-dien-2-amine;propane
CID 144512893

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methylhexa-1,3-diene-2,5-diamine?
The IUPAC name of (3Z)-5-methylhexa-1,3-diene-2,5-diamine (CID 163565471) is (3Z)-5-methylhexa-1,3-diene-2,5-diamine.
What is the SMILES notation for (3Z)-5-methylhexa-1,3-diene-2,5-diamine?
The canonical SMILES for (3Z)-5-methylhexa-1,3-diene-2,5-diamine is C=C(N)/C=C\C(C)(C)N.
What is the InChIKey of (3Z)-5-methylhexa-1,3-diene-2,5-diamine?
The InChIKey is FUUQWJJKJXDJNV-PLNGDYQASA-N. The full InChI is InChI=1S/C7H14N2/c1-6(8)4-5-7(2,3)9/h4-5H,1,8-9H2,2-3H3/b5-4-.
What are the key properties of (3Z)-5-methylhexa-1,3-diene-2,5-diamine?
(3Z)-5-methylhexa-1,3-diene-2,5-diamine has a molecular weight of 126.20 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methylhexa-1,3-diene-2,5-diamine is sourced from PubChem (CID 163565471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).