1-chloropropan-1-amine;N,N-dimethylmethanamine

C6H17ClN2 — CID 87947838

IUPAC1-chloropropan-1-amine;N,N-dimethylmethanamine
SMILESCCC(N)Cl.CN(C)C
InChIInChI=1S/C3H8ClN.C3H9N/c1-2-3(4)5;1-4(2)3/h3H,2,5H2,1H3;1-3H3
InChIKeyYFIFDKIRZIIKCT-UHFFFAOYSA-N
MW152.67 g/mol
LogP1.10
Rot. Bonds1

About 1-chloropropan-1-amine;N,N-dimethylmethanamine

1-chloropropan-1-amine;N,N-dimethylmethanamine (PubChem CID 87947838) has the molecular formula C6H17ClN2 and a molecular weight of 152.67 g/mol. Its IUPAC name is 1-chloropropan-1-amine;N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-chloropropan-1-amine;N,N-dimethylmethanamine
PubChem CID87947838
Molecular FormulaC6H17ClN2
Molecular Weight152.67 g/mol
Exact Mass152.11
IUPAC Name1-chloropropan-1-amine;N,N-dimethylmethanamine
SMILESCCC(N)Cl.CN(C)C
InChIInChI=1S/C3H8ClN.C3H9N/c1-2-3(4)5;1-4(2)3/h3H,2,5H2,1H3;1-3H3
InChIKeyYFIFDKIRZIIKCT-UHFFFAOYSA-N
XLogP1.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.67
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloropropan-1-amine;N,N-dimethylmethanamine?
The IUPAC name of 1-chloropropan-1-amine;N,N-dimethylmethanamine (CID 87947838) is 1-chloropropan-1-amine;N,N-dimethylmethanamine.
What is the SMILES notation for 1-chloropropan-1-amine;N,N-dimethylmethanamine?
The canonical SMILES for 1-chloropropan-1-amine;N,N-dimethylmethanamine is CCC(N)Cl.CN(C)C.
What is the InChIKey of 1-chloropropan-1-amine;N,N-dimethylmethanamine?
The InChIKey is YFIFDKIRZIIKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClN.C3H9N/c1-2-3(4)5;1-4(2)3/h3H,2,5H2,1H3;1-3H3.
What are the key properties of 1-chloropropan-1-amine;N,N-dimethylmethanamine?
1-chloropropan-1-amine;N,N-dimethylmethanamine has a molecular weight of 152.67 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropropan-1-amine;N,N-dimethylmethanamine is sourced from PubChem (CID 87947838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).