N-(butan-2-yldiazenyl)-N-ethenylpropan-1-amine

C9H19N3 — CID 155484564

IUPACN-(butan-2-yldiazenyl)-N-ethenylpropan-1-amine
SMILESC=CN(CCC)/N=N/C(C)CC
InChIInChI=1S/C9H19N3/c1-5-8-12(7-3)11-10-9(4)6-2/h7,9H,3,5-6,8H2,1-2,4H3/b11-10+
InChIKeyXCWFCBOIMSYXFT-ZHACJKMWSA-N
MW169.27 g/mol
LogP3.01
Rot. Bonds6

About N-(butan-2-yldiazenyl)-N-ethenylpropan-1-amine

N-(butan-2-yldiazenyl)-N-ethenylpropan-1-amine (PubChem CID 155484564) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(butan-2-yldiazenyl)-N-ethenylpropan-1-amine.

Molecular Properties

Compound NameN-(butan-2-yldiazenyl)-N-ethenylpropan-1-amine
PubChem CID155484564
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN-(butan-2-yldiazenyl)-N-ethenylpropan-1-amine
SMILESC=CN(CCC)/N=N/C(C)CC
InChIInChI=1S/C9H19N3/c1-5-8-12(7-3)11-10-9(4)6-2/h7,9H,3,5-6,8H2,1-2,4H3/b11-10+
InChIKeyXCWFCBOIMSYXFT-ZHACJKMWSA-N
XLogP3.01
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[ethenyl(pentyl)amino]methanimidamide
CID 166768654
N-ethenyl-2-methyl-N-(methyldiazenyl)propan-1-amine
CID 156718675
N-(ethenyldiazenyl)-N-methylpropan-1-amine
CID 143405082
N,N-dipropylbutan-2-amine
CID 524229
N'-butan-2-ylmethanimidamide
CID 13225428
N-(methylideneamino)-N-propylprop-2-enamide
CID 145450395
N-ethenyl-2-ethyl-N-[(Z)-ethylideneamino]-4-methylpentan-1-amine
CID 178004585
butan-2-yl-[(2Z)-3-methoxypenta-2,4-dien-2-yl]diazene
CID 166807640
ethane;N-ethenyl-N-ethylpropan-1-amine
CID 143192910
N-ethenyl-N-propan-2-ylpentan-1-amine
CID 174943093
N-ethenyl-N,3-dimethylpent-1-en-1-amine
CID 123257858
N'-butan-2-yl-N,N-dimethylmethanimidamide
CID 6432752

Frequently Asked Questions

What is the IUPAC name of N-(butan-2-yldiazenyl)-N-ethenylpropan-1-amine?
The IUPAC name of N-(butan-2-yldiazenyl)-N-ethenylpropan-1-amine (CID 155484564) is N-(butan-2-yldiazenyl)-N-ethenylpropan-1-amine.
What is the SMILES notation for N-(butan-2-yldiazenyl)-N-ethenylpropan-1-amine?
The canonical SMILES for N-(butan-2-yldiazenyl)-N-ethenylpropan-1-amine is C=CN(CCC)/N=N/C(C)CC.
What is the InChIKey of N-(butan-2-yldiazenyl)-N-ethenylpropan-1-amine?
The InChIKey is XCWFCBOIMSYXFT-ZHACJKMWSA-N. The full InChI is InChI=1S/C9H19N3/c1-5-8-12(7-3)11-10-9(4)6-2/h7,9H,3,5-6,8H2,1-2,4H3/b11-10+.
What are the key properties of N-(butan-2-yldiazenyl)-N-ethenylpropan-1-amine?
N-(butan-2-yldiazenyl)-N-ethenylpropan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butan-2-yldiazenyl)-N-ethenylpropan-1-amine is sourced from PubChem (CID 155484564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).