(1Z)-3-methylpenta-1,4-diene-1,3-diamine

C6H12N2 — CID 143213661

IUPAC(1Z)-3-methylpenta-1,4-diene-1,3-diamine
SMILESC=CC(C)(N)/C=C\N
InChIInChI=1S/C6H12N2/c1-3-6(2,8)4-5-7/h3-5H,1,7-8H2,2H3/b5-4-
InChIKeyQJFSHQBANMFJLM-PLNGDYQASA-N
MW112.18 g/mol
LogP0.36
Rot. Bonds2

About (1Z)-3-methylpenta-1,4-diene-1,3-diamine

(1Z)-3-methylpenta-1,4-diene-1,3-diamine (PubChem CID 143213661) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (1Z)-3-methylpenta-1,4-diene-1,3-diamine.

Molecular Properties

Compound Name(1Z)-3-methylpenta-1,4-diene-1,3-diamine
PubChem CID143213661
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(1Z)-3-methylpenta-1,4-diene-1,3-diamine
SMILESC=CC(C)(N)/C=C\N
InChIInChI=1S/C6H12N2/c1-3-6(2,8)4-5-7/h3-5H,1,7-8H2,2H3/b5-4-
InChIKeyQJFSHQBANMFJLM-PLNGDYQASA-N
XLogP0.36
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3,3-dimethylbut-1-en-1-amine;ethane
CID 143062859
2-N'-methylbut-3-ene-2,2-diamine
CID 123441192
1,1-disilylprop-2-en-1-amine
CID 173457267
3,3-dimethylbut-1-ene;2,2-dimethylpropane
CID 162278792
ethene;bis(2,2,5,5-tetramethylhex-3-ene)
CID 162279391
3-methanidyl-3-methylbut-1-ene
CID 91253785
2-[4-(trifluoromethyl)phenyl]but-3-en-2-amine
CID 10512852
3,3,5,5-tetramethylhepta-1,6-dien-4-one
CID 14528511
2-ethenoxypropan-2-amine
CID 154086052
1-[(2R)-2-aminobut-3-en-2-yl]cyclopropan-1-amine
CID 163575227
(2Z,4Z)-hexa-2,4-diene;2-methylpropane-2-thiol;(Z)-prop-1-en-1-amine;prop-1-ene
CID 142305259
(112C)ethenamine
CID 173062115

Frequently Asked Questions

What is the IUPAC name of (1Z)-3-methylpenta-1,4-diene-1,3-diamine?
The IUPAC name of (1Z)-3-methylpenta-1,4-diene-1,3-diamine (CID 143213661) is (1Z)-3-methylpenta-1,4-diene-1,3-diamine.
What is the SMILES notation for (1Z)-3-methylpenta-1,4-diene-1,3-diamine?
The canonical SMILES for (1Z)-3-methylpenta-1,4-diene-1,3-diamine is C=CC(C)(N)/C=C\N.
What is the InChIKey of (1Z)-3-methylpenta-1,4-diene-1,3-diamine?
The InChIKey is QJFSHQBANMFJLM-PLNGDYQASA-N. The full InChI is InChI=1S/C6H12N2/c1-3-6(2,8)4-5-7/h3-5H,1,7-8H2,2H3/b5-4-.
What are the key properties of (1Z)-3-methylpenta-1,4-diene-1,3-diamine?
(1Z)-3-methylpenta-1,4-diene-1,3-diamine has a molecular weight of 112.18 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-methylpenta-1,4-diene-1,3-diamine is sourced from PubChem (CID 143213661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).