N-(1-chloropropan-2-yl)-2-methylpentan-1-amine

C9H20ClN — CID 65025793

IUPACN-(1-chloropropan-2-yl)-2-methylpentan-1-amine
SMILESCCCC(C)CNC(C)CCl
InChIInChI=1S/C9H20ClN/c1-4-5-8(2)7-11-9(3)6-10/h8-9,11H,4-7H2,1-3H3
InChIKeyLYBMEDDJYVJYEY-UHFFFAOYSA-N
MW177.72 g/mol
LogP2.64
Rot. Bonds6

About N-(1-chloropropan-2-yl)-2-methylpentan-1-amine

N-(1-chloropropan-2-yl)-2-methylpentan-1-amine (PubChem CID 65025793) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-2-methylpentan-1-amine.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-2-methylpentan-1-amine
PubChem CID65025793
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC NameN-(1-chloropropan-2-yl)-2-methylpentan-1-amine
SMILESCCCC(C)CNC(C)CCl
InChIInChI=1S/C9H20ClN/c1-4-5-8(2)7-11-9(3)6-10/h8-9,11H,4-7H2,1-3H3
InChIKeyLYBMEDDJYVJYEY-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloropropan-2-yl)-2-methylbutan-1-amine
CID 65025334
(2S)-2-methyl-N-propan-2-ylpentan-1-amine
CID 28610224
1-(2-methylpentylamino)ethanol
CID 88836184
2-methyl-N-pentan-3-ylpentan-1-amine
CID 43204323
1-N,1-N-diethyl-4-N-(2-methylpentyl)pentane-1,4-diamine
CID 43201103
2-methyl-3-(pentan-2-ylamino)propan-1-ol
CID 65031909
2-(2-methylpentylamino)propane-1,3-diol
CID 65315712
2-methyl-N-[1-(1,2,4-triazol-4-yl)propan-2-yl]pentan-1-amine
CID 115908248
N-(1-chloro-3-phenylpropan-2-yl)-2-methylpentan-1-amine
CID 65025934
(2S)-3-methyl-2-(2-methylpentylamino)butan-1-ol
CID 79253780
4-methylheptane
CID 11512
4-methylheptane
CID 91413347

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-2-methylpentan-1-amine?
The IUPAC name of N-(1-chloropropan-2-yl)-2-methylpentan-1-amine (CID 65025793) is N-(1-chloropropan-2-yl)-2-methylpentan-1-amine.
What is the SMILES notation for N-(1-chloropropan-2-yl)-2-methylpentan-1-amine?
The canonical SMILES for N-(1-chloropropan-2-yl)-2-methylpentan-1-amine is CCCC(C)CNC(C)CCl.
What is the InChIKey of N-(1-chloropropan-2-yl)-2-methylpentan-1-amine?
The InChIKey is LYBMEDDJYVJYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClN/c1-4-5-8(2)7-11-9(3)6-10/h8-9,11H,4-7H2,1-3H3.
What are the key properties of N-(1-chloropropan-2-yl)-2-methylpentan-1-amine?
N-(1-chloropropan-2-yl)-2-methylpentan-1-amine has a molecular weight of 177.72 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-2-methylpentan-1-amine is sourced from PubChem (CID 65025793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).