N-butan-2-yl-3-chloro-2-methylprop-2-en-1-amine

C8H16ClN — CID 106437270

IUPACN-butan-2-yl-3-chloro-2-methylprop-2-en-1-amine
SMILESCCC(C)NCC(C)=CCl
InChIInChI=1S/C8H16ClN/c1-4-8(3)10-6-7(2)5-9/h5,8,10H,4,6H2,1-3H3
InChIKeyHXIODMLZWUKVSF-UHFFFAOYSA-N
MW161.68 g/mol
LogP2.52
Rot. Bonds4

About N-butan-2-yl-3-chloro-2-methylprop-2-en-1-amine

N-butan-2-yl-3-chloro-2-methylprop-2-en-1-amine (PubChem CID 106437270) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is N-butan-2-yl-3-chloro-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-3-chloro-2-methylprop-2-en-1-amine
PubChem CID106437270
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC NameN-butan-2-yl-3-chloro-2-methylprop-2-en-1-amine
SMILESCCC(C)NCC(C)=CCl
InChIInChI=1S/C8H16ClN/c1-4-8(3)10-6-7(2)5-9/h5,8,10H,4,6H2,1-3H3
InChIKeyHXIODMLZWUKVSF-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Allylamine, 3-chloro-N-isopropyl-2-methyl-, (E)-
CID 5368164
N-(3-chloro-2-methylprop-2-enyl)-4,4,4-trifluorobutan-2-amine
CID 106438292
(E)-3-chloro-N-(3-fluoropropyl)-2-methylprop-2-en-1-amine
CID 133666153
(E)-3-chloro-N,2-dimethylprop-2-en-1-amine
CID 54606601
Z-(3-Chloro-2-methyl-allyl)-ethyl-amine
CID 5352317
Allylamine, 3-chloro-N-isopropyl-2-methyl-, (Z)-
CID 5368163
N-(2-chloropropan-2-yl)-2-methylprop-2-en-1-amine
CID 57124636
N-(2-methylprop-2-enyl)butan-2-amine
CID 60684103
N-(1-chloropropyl)-2-methylprop-2-en-1-amine;N,N-dimethylmethanamine
CID 87575816
N-(3-chloropropyl)-2-methylprop-2-en-1-amine;N,N-dimethylmethanamine
CID 88432774
N-(1-chloroethyl)-2-methylbut-2-en-1-amine
CID 123635547
ethane;N-(2-methylprop-2-enyl)butan-2-amine
CID 143106441

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-chloro-2-methylprop-2-en-1-amine?
The IUPAC name of N-butan-2-yl-3-chloro-2-methylprop-2-en-1-amine (CID 106437270) is N-butan-2-yl-3-chloro-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-butan-2-yl-3-chloro-2-methylprop-2-en-1-amine?
The canonical SMILES for N-butan-2-yl-3-chloro-2-methylprop-2-en-1-amine is CCC(C)NCC(C)=CCl.
What is the InChIKey of N-butan-2-yl-3-chloro-2-methylprop-2-en-1-amine?
The InChIKey is HXIODMLZWUKVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN/c1-4-8(3)10-6-7(2)5-9/h5,8,10H,4,6H2,1-3H3.
What are the key properties of N-butan-2-yl-3-chloro-2-methylprop-2-en-1-amine?
N-butan-2-yl-3-chloro-2-methylprop-2-en-1-amine has a molecular weight of 161.68 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-chloro-2-methylprop-2-en-1-amine is sourced from PubChem (CID 106437270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).