1-chloro-2-methylpropane;N-methylmethanamine

C6H16ClN — CID 175109198

IUPAC1-chloro-2-methylpropane;N-methylmethanamine
SMILESCC(C)CCl.CNC
InChIInChI=1S/C4H9Cl.C2H7N/c1-4(2)3-5;1-3-2/h4H,3H2,1-2H3;3H,1-2H3
InChIKeyBEGGEEMXYRFACP-UHFFFAOYSA-N
MW137.65 g/mol
LogP1.72
Rot. Bonds1

About 1-chloro-2-methylpropane;N-methylmethanamine

1-chloro-2-methylpropane;N-methylmethanamine (PubChem CID 175109198) has the molecular formula C6H16ClN and a molecular weight of 137.65 g/mol. Its IUPAC name is 1-chloro-2-methylpropane;N-methylmethanamine.

Molecular Properties

Compound Name1-chloro-2-methylpropane;N-methylmethanamine
PubChem CID175109198
Molecular FormulaC6H16ClN
Molecular Weight137.65 g/mol
Exact Mass137.10
IUPAC Name1-chloro-2-methylpropane;N-methylmethanamine
SMILESCC(C)CCl.CNC
InChIInChI=1S/C4H9Cl.C2H7N/c1-4(2)3-5;1-3-2/h4H,3H2,1-2H3;3H,1-2H3
InChIKeyBEGGEEMXYRFACP-UHFFFAOYSA-N
XLogP1.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.65
LogP ≤ 51.72
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

1-chloro-2-methylpropane;methanol
CID 88619830
2-chloropropane;bis(N-methylmethanamine)
CID 88525662
(2S)-1-chloro-N-methylpropan-2-amine;hydrochloride
CID 13134796
1-chloro-2-methylpropane;dimethyl propanedioate
CID 174722202
chloroethane;N-methylmethanamine;hydrochloride
CID 22017076
1-chloro-2,3,5-trimethylhexane
CID 130519679
(2R)-5-chloro-N-methylpentan-2-amine
CID 129120324
2-bromo-1-chloropropane
CID 18175
1,2-dichloropropane;titanium
CID 88762967
1,2-dichloropropane;1-iodo-2-methylpropane
CID 88842909
1-chloro-4-methyl-N-propan-2-ylpentan-2-amine
CID 65025885
1-chloro-N,5-dimethylhexan-3-amine
CID 116952715

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylpropane;N-methylmethanamine?
The IUPAC name of 1-chloro-2-methylpropane;N-methylmethanamine (CID 175109198) is 1-chloro-2-methylpropane;N-methylmethanamine.
What is the SMILES notation for 1-chloro-2-methylpropane;N-methylmethanamine?
The canonical SMILES for 1-chloro-2-methylpropane;N-methylmethanamine is CC(C)CCl.CNC.
What is the InChIKey of 1-chloro-2-methylpropane;N-methylmethanamine?
The InChIKey is BEGGEEMXYRFACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl.C2H7N/c1-4(2)3-5;1-3-2/h4H,3H2,1-2H3;3H,1-2H3.
What are the key properties of 1-chloro-2-methylpropane;N-methylmethanamine?
1-chloro-2-methylpropane;N-methylmethanamine has a molecular weight of 137.65 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylpropane;N-methylmethanamine is sourced from PubChem (CID 175109198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).