N-(2-chloroprop-2-enyl)-2,3-dimethylbutan-1-amine

C9H18ClN — CID 64568928

IUPACN-(2-chloroprop-2-enyl)-2,3-dimethylbutan-1-amine
SMILESC=C(Cl)CNCC(C)C(C)C
InChIInChI=1S/C9H18ClN/c1-7(2)8(3)5-11-6-9(4)10/h7-8,11H,4-6H2,1-3H3
InChIKeyGWTYUNCSKYUZGD-UHFFFAOYSA-N
MW175.70 g/mol
LogP2.62
Rot. Bonds5

About N-(2-chloroprop-2-enyl)-2,3-dimethylbutan-1-amine

N-(2-chloroprop-2-enyl)-2,3-dimethylbutan-1-amine (PubChem CID 64568928) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2,3-dimethylbutan-1-amine
PubChem CID64568928
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC NameN-(2-chloroprop-2-enyl)-2,3-dimethylbutan-1-amine
SMILESC=C(Cl)CNCC(C)C(C)C
InChIInChI=1S/C9H18ClN/c1-7(2)8(3)5-11-6-9(4)10/h7-8,11H,4-6H2,1-3H3
InChIKeyGWTYUNCSKYUZGD-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-chloroprop-2-enyl)-2-ethylbutan-1-amine
CID 115756913
2-(2,3-dimethylbutylamino)-N-methylacetamide
CID 64568537
tert-butyl N-[(2R)-1-(2-chloroprop-2-enylamino)propan-2-yl]carbamate
CID 130774480
N-(2-chloroprop-2-enyl)-7-methyloctan-1-amine
CID 103604981
N-cycloheptyl-2-(2,3-dimethylbutylamino)acetamide
CID 64596656
2,3,4-trimethyl-N-(2,3,4-trimethylpentyl)pentan-1-amine
CID 19083260
N-(2-chloroprop-2-enyl)-3-methylbut-3-en-1-amine
CID 114472547
N-(2-chloroprop-2-enyl)-1,1-difluoropropan-2-amine
CID 102870047
2-methyl-N-(2-methylprop-2-enyl)propan-1-amine
CID 20518350
2,3-dimethyl-N-prop-2-ynylbutan-1-amine
CID 64568255
(2S)-2,3-dimethyl-N-(2-methylbutyl)butan-1-amine
CID 59084986
6-(2,3-dimethylbutylamino)hexan-1-ol
CID 107703430

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2,3-dimethylbutan-1-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-2,3-dimethylbutan-1-amine (CID 64568928) is N-(2-chloroprop-2-enyl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2,3-dimethylbutan-1-amine is C=C(Cl)CNCC(C)C(C)C.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2,3-dimethylbutan-1-amine?
The InChIKey is GWTYUNCSKYUZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN/c1-7(2)8(3)5-11-6-9(4)10/h7-8,11H,4-6H2,1-3H3.
What are the key properties of N-(2-chloroprop-2-enyl)-2,3-dimethylbutan-1-amine?
N-(2-chloroprop-2-enyl)-2,3-dimethylbutan-1-amine has a molecular weight of 175.70 g/mol, XLogP of 2.62, 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)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 64568928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).