7-(3-azaspiro[5.5]undecan-3-yl)heptan-1-amine;hydrochloride

C17H35ClN2 — CID 54606300

IUPAC7-(3-azaspiro[5.5]undecan-3-yl)heptan-1-amine;hydrochloride
SMILESCl.NCCCCCCCN1CCC2(CCCCC2)CC1
InChIInChI=1S/C17H34N2.ClH/c18-13-7-2-1-3-8-14-19-15-11-17(12-16-19)9-5-4-6-10-17;/h1-16,18H2;1H
InChIKeyLEKPHLJDXMDRKD-UHFFFAOYSA-N
MW302.93 g/mol
LogP4.36
Rot. Bonds7

About 7-(3-azaspiro[5.5]undecan-3-yl)heptan-1-amine;hydrochloride

7-(3-azaspiro[5.5]undecan-3-yl)heptan-1-amine;hydrochloride (PubChem CID 54606300) has the molecular formula C17H35ClN2 and a molecular weight of 302.93 g/mol. Its IUPAC name is 7-(3-azaspiro[5.5]undecan-3-yl)heptan-1-amine;hydrochloride.

Molecular Properties

Compound Name7-(3-azaspiro[5.5]undecan-3-yl)heptan-1-amine;hydrochloride
PubChem CID54606300
Molecular FormulaC17H35ClN2
Molecular Weight302.93 g/mol
Exact Mass302.25
IUPAC Name7-(3-azaspiro[5.5]undecan-3-yl)heptan-1-amine;hydrochloride
SMILESCl.NCCCCCCCN1CCC2(CCCCC2)CC1
InChIInChI=1S/C17H34N2.ClH/c18-13-7-2-1-3-8-14-19-15-11-17(12-16-19)9-5-4-6-10-17;/h1-16,18H2;1H
InChIKeyLEKPHLJDXMDRKD-UHFFFAOYSA-N
XLogP4.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.93
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(8-azaspiro[4.5]decan-8-yl)pentan-1-amine
CID 63157322
3-(5-chloropentyl)-3-azaspiro[5.5]undecane
CID 63446917
9-piperidin-1-ylnonan-1-amine
CID 123762077
7-(azepan-1-yl)heptan-1-amine
CID 28597448
8-(6-chlorohexyl)-8-azaspiro[4.5]decane
CID 63447004
5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpentan-1-amine
CID 55157288
6-(azetidin-1-yl)hexan-1-amine
CID 18952651
7-(4,4-diethylpiperidin-1-yl)heptan-1-amine
CID 55159303
5-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine
CID 63157135
[1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]cyclohexyl]methanamine
CID 104678904
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)hexan-1-amine
CID 129354044
4-(3-azaspiro[5.5]undecan-3-yl)-N-ethylbutan-1-amine
CID 62931160

Frequently Asked Questions

What is the IUPAC name of 7-(3-azaspiro[5.5]undecan-3-yl)heptan-1-amine;hydrochloride?
The IUPAC name of 7-(3-azaspiro[5.5]undecan-3-yl)heptan-1-amine;hydrochloride (CID 54606300) is 7-(3-azaspiro[5.5]undecan-3-yl)heptan-1-amine;hydrochloride.
What is the SMILES notation for 7-(3-azaspiro[5.5]undecan-3-yl)heptan-1-amine;hydrochloride?
The canonical SMILES for 7-(3-azaspiro[5.5]undecan-3-yl)heptan-1-amine;hydrochloride is Cl.NCCCCCCCN1CCC2(CCCCC2)CC1.
What is the InChIKey of 7-(3-azaspiro[5.5]undecan-3-yl)heptan-1-amine;hydrochloride?
The InChIKey is LEKPHLJDXMDRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2.ClH/c18-13-7-2-1-3-8-14-19-15-11-17(12-16-19)9-5-4-6-10-17;/h1-16,18H2;1H.
What are the key properties of 7-(3-azaspiro[5.5]undecan-3-yl)heptan-1-amine;hydrochloride?
7-(3-azaspiro[5.5]undecan-3-yl)heptan-1-amine;hydrochloride has a molecular weight of 302.93 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-azaspiro[5.5]undecan-3-yl)heptan-1-amine;hydrochloride is sourced from PubChem (CID 54606300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).