spiro[3.3]heptan-2-ylmethanamine;hydrochloride

C8H16ClN — CID 91647533

IUPACspiro[3.3]heptan-2-ylmethanamine;hydrochloride
SMILESCl.NCC1CC2(CCC2)C1
InChIInChI=1S/C8H15N.ClH/c9-6-7-4-8(5-7)2-1-3-8;/h7H,1-6,9H2;1H
InChIKeySSMUROVXDODTQR-UHFFFAOYSA-N
MW161.68 g/mol
LogP1.95
Rot. Bonds1

About spiro[3.3]heptan-2-ylmethanamine;hydrochloride

spiro[3.3]heptan-2-ylmethanamine;hydrochloride (PubChem CID 91647533) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is spiro[3.3]heptan-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Namespiro[3.3]heptan-2-ylmethanamine;hydrochloride
PubChem CID91647533
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Namespiro[3.3]heptan-2-ylmethanamine;hydrochloride
SMILESCl.NCC1CC2(CCC2)C1
InChIInChI=1S/C8H15N.ClH/c9-6-7-4-8(5-7)2-1-3-8;/h7H,1-6,9H2;1H
InChIKeySSMUROVXDODTQR-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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Related Compounds

[1-(2-Methylpropyl)cyclobutyl]methanamine
CID 28064572
1-{Spiro[3.5]nonan-7-yl}methanamine hydrochloride
CID 68708764
{6,6-Difluorospiro[3.3]heptan-2-yl}methanamine hydrochloride
CID 72207783
3-Cyclobutyl-2,2-dimethylpropan-1-amine
CID 86277120
(1-Cyclobutylcyclobutyl)methanamine hydrochloride
CID 121553109
2-(Spiro(3.3)heptan-2-yl)ethan-1-amine
CID 138040587
{Spiro[3.3]heptan-1-yl}methanamine hydrochloride
CID 139026678
1-{Spiro[3.5]nonan-2-yl}methanamine hydrochloride
CID 145874603
[2-(Difluoromethyl)spiro[3.3]heptan-2-yl]methanamine hydrochloride
CID 145913495
{6,6-Dimethylspiro[3.3]heptan-2-yl}methanamine hydrochloride
CID 145915616
2-{Bicyclo[1.1.1]pentan-1-yl}ethan-1-amine hydrochloride
CID 145945005
1-(Spiro(3.4)octan-2-yl)methanamine hydrochloride
CID 146049987

Frequently Asked Questions

What is the IUPAC name of spiro[3.3]heptan-2-ylmethanamine;hydrochloride?
The IUPAC name of spiro[3.3]heptan-2-ylmethanamine;hydrochloride (CID 91647533) is spiro[3.3]heptan-2-ylmethanamine;hydrochloride.
What is the SMILES notation for spiro[3.3]heptan-2-ylmethanamine;hydrochloride?
The canonical SMILES for spiro[3.3]heptan-2-ylmethanamine;hydrochloride is Cl.NCC1CC2(CCC2)C1.
What is the InChIKey of spiro[3.3]heptan-2-ylmethanamine;hydrochloride?
The InChIKey is SSMUROVXDODTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.ClH/c9-6-7-4-8(5-7)2-1-3-8;/h7H,1-6,9H2;1H.
What are the key properties of spiro[3.3]heptan-2-ylmethanamine;hydrochloride?
spiro[3.3]heptan-2-ylmethanamine;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 spiro[3.3]heptan-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 91647533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).