N-propan-2-ylpropan-1-amine;hydrochloride

C6H16ClN — CID 13344554

IUPACN-propan-2-ylpropan-1-amine;hydrochloride
SMILESCCCNC(C)C.Cl
InChIInChI=1S/C6H15N.ClH/c1-4-5-7-6(2)3;/h6-7H,4-5H2,1-3H3;1H
InChIKeyJBIKEQDMJSSOEM-UHFFFAOYSA-N
MW137.65 g/mol
LogP1.82
Rot. Bonds3

About N-propan-2-ylpropan-1-amine;hydrochloride

N-propan-2-ylpropan-1-amine;hydrochloride (PubChem CID 13344554) has the molecular formula C6H16ClN and a molecular weight of 137.65 g/mol. Its IUPAC name is N-propan-2-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-propan-2-ylpropan-1-amine;hydrochloride
PubChem CID13344554
Molecular FormulaC6H16ClN
Molecular Weight137.65 g/mol
Exact Mass137.10
IUPAC NameN-propan-2-ylpropan-1-amine;hydrochloride
SMILESCCCNC(C)C.Cl
InChIInChI=1S/C6H15N.ClH/c1-4-5-7-6(2)3;/h6-7H,4-5H2,1-3H3;1H
InChIKeyJBIKEQDMJSSOEM-UHFFFAOYSA-N
XLogP1.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.65
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylpropan-1-amine;hydrochloride?
The IUPAC name of N-propan-2-ylpropan-1-amine;hydrochloride (CID 13344554) is N-propan-2-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for N-propan-2-ylpropan-1-amine;hydrochloride?
The canonical SMILES for N-propan-2-ylpropan-1-amine;hydrochloride is CCCNC(C)C.Cl.
What is the InChIKey of N-propan-2-ylpropan-1-amine;hydrochloride?
The InChIKey is JBIKEQDMJSSOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.ClH/c1-4-5-7-6(2)3;/h6-7H,4-5H2,1-3H3;1H.
What are the key properties of N-propan-2-ylpropan-1-amine;hydrochloride?
N-propan-2-ylpropan-1-amine;hydrochloride has a molecular weight of 137.65 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 13344554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).