3-propan-2-ylbicyclo[1.1.1]pentan-1-amine;hydrochloride

C8H16ClN — CID 138112566

IUPAC3-propan-2-ylbicyclo[1.1.1]pentan-1-amine;hydrochloride
SMILESCC(C)C12CC(N)(C1)C2.Cl
InChIInChI=1S/C8H15N.ClH/c1-6(2)7-3-8(9,4-7)5-7;/h6H,3-5,9H2,1-2H3;1H
InChIKeyNEAKIEVMLDPIOT-UHFFFAOYSA-N
MW161.68 g/mol
LogP1.95
Rot. Bonds1

About 3-propan-2-ylbicyclo[1.1.1]pentan-1-amine;hydrochloride

3-propan-2-ylbicyclo[1.1.1]pentan-1-amine;hydrochloride (PubChem CID 138112566) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is 3-propan-2-ylbicyclo[1.1.1]pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-propan-2-ylbicyclo[1.1.1]pentan-1-amine;hydrochloride
PubChem CID138112566
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name3-propan-2-ylbicyclo[1.1.1]pentan-1-amine;hydrochloride
SMILESCC(C)C12CC(N)(C1)C2.Cl
InChIInChI=1S/C8H15N.ClH/c1-6(2)7-3-8(9,4-7)5-7;/h6H,3-5,9H2,1-2H3;1H
InChIKeyNEAKIEVMLDPIOT-UHFFFAOYSA-N
XLogP1.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylbicyclo[1.1.1]pentan-1-amine;hydrochloride?
The IUPAC name of 3-propan-2-ylbicyclo[1.1.1]pentan-1-amine;hydrochloride (CID 138112566) is 3-propan-2-ylbicyclo[1.1.1]pentan-1-amine;hydrochloride.
What is the SMILES notation for 3-propan-2-ylbicyclo[1.1.1]pentan-1-amine;hydrochloride?
The canonical SMILES for 3-propan-2-ylbicyclo[1.1.1]pentan-1-amine;hydrochloride is CC(C)C12CC(N)(C1)C2.Cl.
What is the InChIKey of 3-propan-2-ylbicyclo[1.1.1]pentan-1-amine;hydrochloride?
The InChIKey is NEAKIEVMLDPIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.ClH/c1-6(2)7-3-8(9,4-7)5-7;/h6H,3-5,9H2,1-2H3;1H.
What are the key properties of 3-propan-2-ylbicyclo[1.1.1]pentan-1-amine;hydrochloride?
3-propan-2-ylbicyclo[1.1.1]pentan-1-amine;hydrochloride has a molecular weight of 161.68 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylbicyclo[1.1.1]pentan-1-amine;hydrochloride is sourced from PubChem (CID 138112566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).