2-methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine;hydrochloride

C8H16ClN — CID 21496889

IUPAC2-methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine;hydrochloride
SMILESC=C(C)CNCC(=C)C.Cl
InChIInChI=1S/C8H15N.ClH/c1-7(2)5-9-6-8(3)4;/h9H,1,3,5-6H2,2,4H3;1H
InChIKeyCHLLEAIFBVLOLE-UHFFFAOYSA-N
MW161.68 g/mol
LogP2.15
Rot. Bonds4

About 2-methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine;hydrochloride

2-methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine;hydrochloride (PubChem CID 21496889) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is 2-methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine;hydrochloride
PubChem CID21496889
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name2-methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine;hydrochloride
SMILESC=C(C)CNCC(=C)C.Cl
InChIInChI=1S/C8H15N.ClH/c1-7(2)5-9-6-8(3)4;/h9H,1,3,5-6H2,2,4H3;1H
InChIKeyCHLLEAIFBVLOLE-UHFFFAOYSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Propen-1-amine, N-ethyl-2-methyl-
CID 87587
Bis(2-methylprop-2-en-1-yl)amine
CID 233709
Methyl(2-methylprop-2-en-1-yl)amine hydrochloride
CID 134690937
Methyl methallylamine
CID 3478594
N-tert-Butyl-2-methylprop-2-en-1-amine
CID 14244679
3-methyl-N-(3-methylbut-2-enyl)but-2-en-1-amine
CID 67948027
N,N'-dibutyl-2-methylidenepropane-1,3-diamine
CID 10608042
N-(2-methylprop-2-en-1-yl)but-2-yn-1-amine
CID 116025313
N'-(2-methylprop-2-enyl)propane-1,3-diamine
CID 62331906
N-(2,2-Dimethylpropyl)-2-methyl-2-propen-1-amine
CID 12422962
N,N'-diethyl-2-methylidenepropane-1,3-diamine
CID 12427675
N-butyl-3-methylbut-2-en-1-amine
CID 13356749

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine;hydrochloride?
The IUPAC name of 2-methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine;hydrochloride (CID 21496889) is 2-methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for 2-methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine;hydrochloride?
The canonical SMILES for 2-methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine;hydrochloride is C=C(C)CNCC(=C)C.Cl.
What is the InChIKey of 2-methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine;hydrochloride?
The InChIKey is CHLLEAIFBVLOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.ClH/c1-7(2)5-9-6-8(3)4;/h9H,1,3,5-6H2,2,4H3;1H.
What are the key properties of 2-methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine;hydrochloride?
2-methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine;hydrochloride has a molecular weight of 161.68 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 21496889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).