4-chloro-N-prop-2-enylbutan-2-amine

C7H14ClN — CID 83180001

IUPAC4-chloro-N-prop-2-enylbutan-2-amine
SMILESC=CCNC(C)CCCl
InChIInChI=1S/C7H14ClN/c1-3-6-9-7(2)4-5-8/h3,7,9H,1,4-6H2,2H3
InChIKeyFJWCZWBNPOJLOF-UHFFFAOYSA-N
MW147.65 g/mol
LogP1.78
Rot. Bonds5

About 4-chloro-N-prop-2-enylbutan-2-amine

4-chloro-N-prop-2-enylbutan-2-amine (PubChem CID 83180001) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is 4-chloro-N-prop-2-enylbutan-2-amine.

Molecular Properties

Compound Name4-chloro-N-prop-2-enylbutan-2-amine
PubChem CID83180001
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name4-chloro-N-prop-2-enylbutan-2-amine
SMILESC=CCNC(C)CCCl
InChIInChI=1S/C7H14ClN/c1-3-6-9-7(2)4-5-8/h3,7,9H,1,4-6H2,2H3
InChIKeyFJWCZWBNPOJLOF-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-N-prop-2-enylpropan-2-amine
CID 65025683
N-prop-2-enylpropan-2-amine
CID 520711
N-prop-2-enylpropan-2-amine
CID 159979595
N-(4-chlorobutan-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 83186512
4-chloro-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 83186900
(2S)-1-phenyl-N-prop-2-enylpropan-2-amine
CID 101179457
2-chloro-N-prop-2-enylpentan-3-amine
CID 130965078
4-phenylmethoxy-N-prop-2-enylbutan-2-amine
CID 130948211
2-methyl-N-prop-2-enylpentan-3-amine
CID 43755389
N-pentan-2-yl-2-(prop-2-enylamino)propanamide
CID 43113010
2-(2-chloroethyl)-N,N'-bis(prop-2-enyl)propanediamide
CID 126612629
1-iodo-3-methyl-N-prop-2-enylbutan-2-amine
CID 107859441

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-prop-2-enylbutan-2-amine?
The IUPAC name of 4-chloro-N-prop-2-enylbutan-2-amine (CID 83180001) is 4-chloro-N-prop-2-enylbutan-2-amine.
What is the SMILES notation for 4-chloro-N-prop-2-enylbutan-2-amine?
The canonical SMILES for 4-chloro-N-prop-2-enylbutan-2-amine is C=CCNC(C)CCCl.
What is the InChIKey of 4-chloro-N-prop-2-enylbutan-2-amine?
The InChIKey is FJWCZWBNPOJLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClN/c1-3-6-9-7(2)4-5-8/h3,7,9H,1,4-6H2,2H3.
What are the key properties of 4-chloro-N-prop-2-enylbutan-2-amine?
4-chloro-N-prop-2-enylbutan-2-amine has a molecular weight of 147.65 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-prop-2-enylbutan-2-amine is sourced from PubChem (CID 83180001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).