1-[(2S)-butan-2-yl]-1-methyl-2-[(3Z)-3-methylpenta-1,3-dien-2-yl]hydrazine

C11H22N2 — CID 163804846

IUPAC1-[(2S)-butan-2-yl]-1-methyl-2-[(3Z)-3-methylpenta-1,3-dien-2-yl]hydrazine
SMILESC=C(NN(C)[C@@H](C)CC)/C(C)=C\C
InChIInChI=1S/C11H22N2/c1-7-9(3)11(5)12-13(6)10(4)8-2/h7,10,12H,5,8H2,1-4,6H3/b9-7-/t10-/m0/s1
InChIKeyNIDVKVJRBZCTTH-RNKPRXRFSA-N
MW182.31 g/mol
LogP2.70
Rot. Bonds5

About 1-[(2S)-butan-2-yl]-1-methyl-2-[(3Z)-3-methylpenta-1,3-dien-2-yl]hydrazine

1-[(2S)-butan-2-yl]-1-methyl-2-[(3Z)-3-methylpenta-1,3-dien-2-yl]hydrazine (PubChem CID 163804846) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]-1-methyl-2-[(3Z)-3-methylpenta-1,3-dien-2-yl]hydrazine.

Molecular Properties

Compound Name1-[(2S)-butan-2-yl]-1-methyl-2-[(3Z)-3-methylpenta-1,3-dien-2-yl]hydrazine
PubChem CID163804846
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-[(2S)-butan-2-yl]-1-methyl-2-[(3Z)-3-methylpenta-1,3-dien-2-yl]hydrazine
SMILESC=C(NN(C)[C@@H](C)CC)/C(C)=C\C
InChIInChI=1S/C11H22N2/c1-7-9(3)11(5)12-13(6)10(4)8-2/h7,10,12H,5,8H2,1-4,6H3/b9-7-/t10-/m0/s1
InChIKeyNIDVKVJRBZCTTH-RNKPRXRFSA-N
XLogP2.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2S)-butan-2-yl]-1-methyl-2-[(3Z)-3-methylpenta-1,3-dien-2-yl]hydrazine 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

(2Z,4E,5Z)-7-[amino(methyl)amino]-4-ethylidene-N-methylnona-2,5-dien-5-amine
CID 118363217
1-(3,4-Dimethylpenta-1,3-dien-2-yl)-1-methyl-2-propan-2-ylhydrazine
CID 122645149
1-(5-Methyl-3-methylideneocta-1,4-dien-2-yl)-1-propan-2-ylhydrazine
CID 123999242
1-[(3E,5Z)-5,7-dimethylocta-3,5-dien-4-yl]-1-methylhydrazine
CID 126629500
(2E,4Z,6E)-7-[amino(butan-2-yl)amino]-4,5-dimethylocta-2,4,6-trien-2-amine
CID 138535108
1-ethyl-1-methyl-2-[(2Z,5Z,7Z)-4-methylidenenona-2,5,7-trien-3-yl]hydrazine
CID 139479192
N-[[(1Z)-buta-1,3-dienyl]-methylamino]-N-(4-methylpenta-1,3-dien-2-ylamino)methanamine
CID 139495092
(3Z)-4-[[amino(methyl)amino]methyl]hexa-1,3,5-trien-3-amine
CID 141887539
ethane;(3E)-N,N,5-trimethyl-4-(2-methylhydrazinyl)hexa-3,5-dien-2-amine
CID 143501967
(3Z)-4-[amino(methyl)amino]-2,5-dimethylhexa-1,3,5-trien-3-amine
CID 143987367
1,2-dimethyl-1-[(2Z)-4-methylpenta-2,4-dien-2-yl]hydrazine;ethane
CID 144233908
(Z)-2-[amino-[(3E)-3,6-dimethylhepta-1,3,5-trien-4-yl]amino]ethenamine
CID 144435718

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]-1-methyl-2-[(3Z)-3-methylpenta-1,3-dien-2-yl]hydrazine?
The IUPAC name of 1-[(2S)-butan-2-yl]-1-methyl-2-[(3Z)-3-methylpenta-1,3-dien-2-yl]hydrazine (CID 163804846) is 1-[(2S)-butan-2-yl]-1-methyl-2-[(3Z)-3-methylpenta-1,3-dien-2-yl]hydrazine.
What is the SMILES notation for 1-[(2S)-butan-2-yl]-1-methyl-2-[(3Z)-3-methylpenta-1,3-dien-2-yl]hydrazine?
The canonical SMILES for 1-[(2S)-butan-2-yl]-1-methyl-2-[(3Z)-3-methylpenta-1,3-dien-2-yl]hydrazine is C=C(NN(C)[C@@H](C)CC)/C(C)=C\C.
What is the InChIKey of 1-[(2S)-butan-2-yl]-1-methyl-2-[(3Z)-3-methylpenta-1,3-dien-2-yl]hydrazine?
The InChIKey is NIDVKVJRBZCTTH-RNKPRXRFSA-N. The full InChI is InChI=1S/C11H22N2/c1-7-9(3)11(5)12-13(6)10(4)8-2/h7,10,12H,5,8H2,1-4,6H3/b9-7-/t10-/m0/s1.
What are the key properties of 1-[(2S)-butan-2-yl]-1-methyl-2-[(3Z)-3-methylpenta-1,3-dien-2-yl]hydrazine?
1-[(2S)-butan-2-yl]-1-methyl-2-[(3Z)-3-methylpenta-1,3-dien-2-yl]hydrazine has a molecular weight of 182.31 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-butan-2-yl]-1-methyl-2-[(3Z)-3-methylpenta-1,3-dien-2-yl]hydrazine is sourced from PubChem (CID 163804846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).