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

C8H18ClN — CID 104555107

IUPACN-(1-chloropropan-2-yl)-N-methylbutan-1-amine
SMILESCCCCN(C)C(C)CCl
InChIInChI=1S/C8H18ClN/c1-4-5-6-10(3)8(2)7-9/h8H,4-7H2,1-3H3
InChIKeyMAMSMCMJSMAPKP-UHFFFAOYSA-N
MW163.69 g/mol
LogP2.35
Rot. Bonds5

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

N-(1-chloropropan-2-yl)-N-methylbutan-1-amine (PubChem CID 104555107) has the molecular formula C8H18ClN and a molecular weight of 163.69 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-N-methylbutan-1-amine
PubChem CID104555107
Molecular FormulaC8H18ClN
Molecular Weight163.69 g/mol
Exact Mass163.11
IUPAC NameN-(1-chloropropan-2-yl)-N-methylbutan-1-amine
SMILESCCCCN(C)C(C)CCl
InChIInChI=1S/C8H18ClN/c1-4-5-6-10(3)8(2)7-9/h8H,4-7H2,1-3H3
InChIKeyMAMSMCMJSMAPKP-UHFFFAOYSA-N
XLogP2.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.69
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-N-(2-ethylsulfonylethyl)-N-methylpropan-2-amine
CID 106731281
N-(1-chloropropan-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 104555151
N-(3-chloropropyl)-N-methylbutan-2-amine
CID 61287944
N-dodecyl-N-methyltridecan-2-amine
CID 87784054
N-(1-bromopropan-2-yl)-N-methyldodecan-1-amine
CID 104554825
2-N-dodecyl-2-N-methylpropane-1,2-diamine
CID 104556816
N-(1-bromopropan-2-yl)-N-methylheptan-1-amine
CID 104554827
N-butyl-N-methylnonan-5-amine
CID 175231488
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62424956
2-[butyl(methyl)amino]-3-methylbutanoyl chloride
CID 82040614
ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-N-methylbutan-1-amine?
The IUPAC name of N-(1-chloropropan-2-yl)-N-methylbutan-1-amine (CID 104555107) is N-(1-chloropropan-2-yl)-N-methylbutan-1-amine.
What is the SMILES notation for N-(1-chloropropan-2-yl)-N-methylbutan-1-amine?
The canonical SMILES for N-(1-chloropropan-2-yl)-N-methylbutan-1-amine is CCCCN(C)C(C)CCl.
What is the InChIKey of N-(1-chloropropan-2-yl)-N-methylbutan-1-amine?
The InChIKey is MAMSMCMJSMAPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClN/c1-4-5-6-10(3)8(2)7-9/h8H,4-7H2,1-3H3.
What are the key properties of N-(1-chloropropan-2-yl)-N-methylbutan-1-amine?
N-(1-chloropropan-2-yl)-N-methylbutan-1-amine has a molecular weight of 163.69 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 104555107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).