N-(3-chloropropyl)-2-methylpropan-2-amine

C7H16ClN — CID 13052581

IUPACN-(3-chloropropyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCCl
InChIInChI=1S/C7H16ClN/c1-7(2,3)9-6-4-5-8/h9H,4-6H2,1-3H3
InChIKeyADMPAKHJYCHVQD-UHFFFAOYSA-N
MW149.66 g/mol
LogP2.00
Rot. Bonds3

About N-(3-chloropropyl)-2-methylpropan-2-amine

N-(3-chloropropyl)-2-methylpropan-2-amine (PubChem CID 13052581) has the molecular formula C7H16ClN and a molecular weight of 149.66 g/mol. Its IUPAC name is N-(3-chloropropyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-2-methylpropan-2-amine
PubChem CID13052581
Molecular FormulaC7H16ClN
Molecular Weight149.66 g/mol
Exact Mass149.10
IUPAC NameN-(3-chloropropyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCCl
InChIInChI=1S/C7H16ClN/c1-7(2,3)9-6-4-5-8/h9H,4-6H2,1-3H3
InChIKeyADMPAKHJYCHVQD-UHFFFAOYSA-N
XLogP2.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.66
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-2-methylpropan-2-amine?
The IUPAC name of N-(3-chloropropyl)-2-methylpropan-2-amine (CID 13052581) is N-(3-chloropropyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(3-chloropropyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(3-chloropropyl)-2-methylpropan-2-amine is CC(C)(C)NCCCCl.
What is the InChIKey of N-(3-chloropropyl)-2-methylpropan-2-amine?
The InChIKey is ADMPAKHJYCHVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClN/c1-7(2,3)9-6-4-5-8/h9H,4-6H2,1-3H3.
What are the key properties of N-(3-chloropropyl)-2-methylpropan-2-amine?
N-(3-chloropropyl)-2-methylpropan-2-amine has a molecular weight of 149.66 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-2-methylpropan-2-amine is sourced from PubChem (CID 13052581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).