spiro[3.3]heptan-3-ylmethanamine;hydrochloride

C8H16ClN — CID 139026678

IUPACspiro[3.3]heptan-3-ylmethanamine;hydrochloride
SMILESCl.NCC1CCC12CCC2
InChIInChI=1S/C8H15N.ClH/c9-6-7-2-5-8(7)3-1-4-8;/h7H,1-6,9H2;1H
InChIKeyUXZKWVKJQYIOLD-UHFFFAOYSA-N
MW161.68 g/mol
LogP1.95
Rot. Bonds1

About spiro[3.3]heptan-3-ylmethanamine;hydrochloride

spiro[3.3]heptan-3-ylmethanamine;hydrochloride (PubChem CID 139026678) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is spiro[3.3]heptan-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Namespiro[3.3]heptan-3-ylmethanamine;hydrochloride
PubChem CID139026678
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Namespiro[3.3]heptan-3-ylmethanamine;hydrochloride
SMILESCl.NCC1CCC12CCC2
InChIInChI=1S/C8H15N.ClH/c9-6-7-2-5-8(7)3-1-4-8;/h7H,1-6,9H2;1H
InChIKeyUXZKWVKJQYIOLD-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

[(3S)-7-oxaspiro[3.5]nonan-3-yl]methanamine
CID 125041554
3-oxaspiro[5.5]undecan-11-ylmethanamine
CID 83906798
[(2R)-spiro[2.4]heptan-2-yl]methanamine
CID 94557824
2-spiro[3.5]nonan-9-ylethanamine
CID 83905636
(2,2-difluorocyclohexyl)methanamine;hydrochloride
CID 105441933
[(1R)-2,2,3,3-tetramethylcyclopentyl]methanamine
CID 58477002
(2R)-spiro[2.3]hexan-2-amine
CID 124508890
spiro[2.3]hexan-2-amine
CID 55289803
(1R)-2-(aminomethyl)-1-methylcyclohexan-1-ol;hydrochloride
CID 155887959
(6-propan-2-ylspiro[2.5]octan-2-yl)methanamine
CID 62707779
(7-methoxyspiro[2.5]octan-2-yl)methanamine
CID 106874327
(2,2-dimethylcyclohexyl)methanamine
CID 22484483

Frequently Asked Questions

What is the IUPAC name of spiro[3.3]heptan-3-ylmethanamine;hydrochloride?
The IUPAC name of spiro[3.3]heptan-3-ylmethanamine;hydrochloride (CID 139026678) is spiro[3.3]heptan-3-ylmethanamine;hydrochloride.
What is the SMILES notation for spiro[3.3]heptan-3-ylmethanamine;hydrochloride?
The canonical SMILES for spiro[3.3]heptan-3-ylmethanamine;hydrochloride is Cl.NCC1CCC12CCC2.
What is the InChIKey of spiro[3.3]heptan-3-ylmethanamine;hydrochloride?
The InChIKey is UXZKWVKJQYIOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.ClH/c9-6-7-2-5-8(7)3-1-4-8;/h7H,1-6,9H2;1H.
What are the key properties of spiro[3.3]heptan-3-ylmethanamine;hydrochloride?
spiro[3.3]heptan-3-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-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 139026678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).