N-(2-chloroprop-2-enyl)-3-methylbut-3-en-1-amine

C8H14ClN — CID 114472547

IUPACN-(2-chloroprop-2-enyl)-3-methylbut-3-en-1-amine
SMILESC=C(C)CCNCC(=C)Cl
InChIInChI=1S/C8H14ClN/c1-7(2)4-5-10-6-8(3)9/h10H,1,3-6H2,2H3
InChIKeyOBGAQAWLVUQIOP-UHFFFAOYSA-N
MW159.66 g/mol
LogP2.29
Rot. Bonds5

About N-(2-chloroprop-2-enyl)-3-methylbut-3-en-1-amine

N-(2-chloroprop-2-enyl)-3-methylbut-3-en-1-amine (PubChem CID 114472547) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-3-methylbut-3-en-1-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-3-methylbut-3-en-1-amine
PubChem CID114472547
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC NameN-(2-chloroprop-2-enyl)-3-methylbut-3-en-1-amine
SMILESC=C(C)CCNCC(=C)Cl
InChIInChI=1S/C8H14ClN/c1-7(2)4-5-10-6-8(3)9/h10H,1,3-6H2,2H3
InChIKeyOBGAQAWLVUQIOP-UHFFFAOYSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylbut-3-enylamino)acetamide
CID 114471988
2-chloro-N-(3-methylsulfanylpropyl)prop-2-en-1-amine
CID 63966036
N-(2-chloroprop-2-enyl)-7-methyloctan-1-amine
CID 103604981
N-(3-methylbut-3-enyl)hexan-1-amine
CID 114472319
N,3-dimethylbut-3-en-1-amine;hydrochloride
CID 155386259
2-chloro-N-[2-(3-methoxypropoxy)ethyl]prop-2-en-1-amine
CID 103179451
2,3,3-trimethyl-N-(3-methylbut-3-enyl)butan-1-amine
CID 114472495
N-(2-chloroprop-2-enyl)-2-ethylbutan-1-amine
CID 115756913
2-(2-methylprop-2-enylamino)ethanol
CID 19100967
N-(2-chloroprop-2-enyl)hex-5-yn-1-amine
CID 106211664
2-N,2-N,2-trimethyl-1-N-(3-methylbut-3-enyl)propane-1,2-diamine
CID 114472186
N-(2-chloroprop-2-enyl)-2,3-dimethylbutan-1-amine
CID 64568928

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-3-methylbut-3-en-1-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-3-methylbut-3-en-1-amine (CID 114472547) is N-(2-chloroprop-2-enyl)-3-methylbut-3-en-1-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-3-methylbut-3-en-1-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-3-methylbut-3-en-1-amine is C=C(C)CCNCC(=C)Cl.
What is the InChIKey of N-(2-chloroprop-2-enyl)-3-methylbut-3-en-1-amine?
The InChIKey is OBGAQAWLVUQIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN/c1-7(2)4-5-10-6-8(3)9/h10H,1,3-6H2,2H3.
What are the key properties of N-(2-chloroprop-2-enyl)-3-methylbut-3-en-1-amine?
N-(2-chloroprop-2-enyl)-3-methylbut-3-en-1-amine has a molecular weight of 159.66 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-3-methylbut-3-en-1-amine is sourced from PubChem (CID 114472547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).