(2R)-N-chloropentan-2-amine

C5H12ClN — CID 88575991

IUPAC(2R)-N-chloropentan-2-amine
SMILESCCC[C@@H](C)NCl
InChIInChI=1S/C5H12ClN/c1-3-4-5(2)7-6/h5,7H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyMPYOKZNCDORIPR-RXMQYKEDSA-N
MW121.61 g/mol
LogP1.92
Rot. Bonds3

About (2R)-N-chloropentan-2-amine

(2R)-N-chloropentan-2-amine (PubChem CID 88575991) has the molecular formula C5H12ClN and a molecular weight of 121.61 g/mol. Its IUPAC name is (2R)-N-chloropentan-2-amine.

Molecular Properties

Compound Name(2R)-N-chloropentan-2-amine
PubChem CID88575991
Molecular FormulaC5H12ClN
Molecular Weight121.61 g/mol
Exact Mass121.07
IUPAC Name(2R)-N-chloropentan-2-amine
SMILESCCC[C@@H](C)NCl
InChIInChI=1S/C5H12ClN/c1-3-4-5(2)7-6/h5,7H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyMPYOKZNCDORIPR-RXMQYKEDSA-N
XLogP1.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.61
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis[(2S)-pentan-2-yl]hydrazine
CID 92556919
N-methylpentan-2-amine;hydrochloride
CID 42919600
ethane;(2S)-N-methylpentan-2-amine
CID 143603159
1-N'-pentan-2-ylethane-1,1-diamine
CID 147485734
4-chloro-3-methyl-N-pentan-2-ylbutan-2-amine
CID 107887573
N-(1-chloro-2-methylpropan-2-yl)pentan-2-amine
CID 107887400
N-(2-chlorobutyl)pentan-2-amine
CID 107887575
2,6-dichloro-N-pentan-2-ylaniline
CID 65469888
3-chloro-1-N-pentan-2-ylbenzene-1,2-diamine
CID 104833946
N-[[4-(chloromethyl)phenyl]methyl]pentan-2-amine
CID 107887675
N-pentan-2-ylmethanesulfinamide
CID 123141718
4-bromo-2,3-dichloro-N-pentan-2-ylaniline
CID 107787687

Frequently Asked Questions

What is the IUPAC name of (2R)-N-chloropentan-2-amine?
The IUPAC name of (2R)-N-chloropentan-2-amine (CID 88575991) is (2R)-N-chloropentan-2-amine.
What is the SMILES notation for (2R)-N-chloropentan-2-amine?
The canonical SMILES for (2R)-N-chloropentan-2-amine is CCC[C@@H](C)NCl.
What is the InChIKey of (2R)-N-chloropentan-2-amine?
The InChIKey is MPYOKZNCDORIPR-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H12ClN/c1-3-4-5(2)7-6/h5,7H,3-4H2,1-2H3/t5-/m1/s1.
What are the key properties of (2R)-N-chloropentan-2-amine?
(2R)-N-chloropentan-2-amine has a molecular weight of 121.61 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-chloropentan-2-amine is sourced from PubChem (CID 88575991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).