(4S)-azocan-4-amine;methane;hydrochloride

C9H25ClN2 — CID 173145550

IUPAC(4S)-azocan-4-amine;methane;hydrochloride
SMILESC.C.Cl.N[C@H]1CCCCNCC1
InChIInChI=1S/C7H16N2.2CH4.ClH/c8-7-3-1-2-5-9-6-4-7;;;/h7,9H,1-6,8H2;2*1H4;1H/t7-;;;/m0.../s1
InChIKeyUCILFWNRXGNSQZ-QTPLPEIMSA-N
MW196.77 g/mol
LogP2.17
Rot. Bonds

About (4S)-azocan-4-amine;methane;hydrochloride

(4S)-azocan-4-amine;methane;hydrochloride (PubChem CID 173145550) has the molecular formula C9H25ClN2 and a molecular weight of 196.77 g/mol. Its IUPAC name is (4S)-azocan-4-amine;methane;hydrochloride.

Molecular Properties

Compound Name(4S)-azocan-4-amine;methane;hydrochloride
PubChem CID173145550
Molecular FormulaC9H25ClN2
Molecular Weight196.77 g/mol
Exact Mass196.17
IUPAC Name(4S)-azocan-4-amine;methane;hydrochloride
SMILESC.C.Cl.N[C@H]1CCCCNCC1
InChIInChI=1S/C7H16N2.2CH4.ClH/c8-7-3-1-2-5-9-6-4-7;;;/h7,9H,1-6,8H2;2*1H4;1H/t7-;;;/m0.../s1
InChIKeyUCILFWNRXGNSQZ-QTPLPEIMSA-N
XLogP2.17
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.77
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-4-amine;dihydrochloride
CID 118989390
piperidin-4-amine;piperidine
CID 172695620
(3S)-azepan-3-amine;dihydrochloride
CID 52952863
cyclopentanamine;ethane;2-methylpropane;piperidine
CID 143306157
(3S)-azepan-3-amine
CID 7145038
CID 175698442
CID 175698442
azane;cyclopentanamine
CID 69254255
cyclopentanamine;platinum(2+)
CID 21144800
acetic acid;piperidin-4-amine
CID 172796704
azane;cycloheptanamine
CID 135353953
1,4,7-triazacycloundecane;trihydrochloride
CID 71676580
1,5,9,14,18,22-hexazacyclohexacosane;hexahydrochloride
CID 71676783

Frequently Asked Questions

What is the IUPAC name of (4S)-azocan-4-amine;methane;hydrochloride?
The IUPAC name of (4S)-azocan-4-amine;methane;hydrochloride (CID 173145550) is (4S)-azocan-4-amine;methane;hydrochloride.
What is the SMILES notation for (4S)-azocan-4-amine;methane;hydrochloride?
The canonical SMILES for (4S)-azocan-4-amine;methane;hydrochloride is C.C.Cl.N[C@H]1CCCCNCC1.
What is the InChIKey of (4S)-azocan-4-amine;methane;hydrochloride?
The InChIKey is UCILFWNRXGNSQZ-QTPLPEIMSA-N. The full InChI is InChI=1S/C7H16N2.2CH4.ClH/c8-7-3-1-2-5-9-6-4-7;;;/h7,9H,1-6,8H2;2*1H4;1H/t7-;;;/m0.../s1.
What are the key properties of (4S)-azocan-4-amine;methane;hydrochloride?
(4S)-azocan-4-amine;methane;hydrochloride has a molecular weight of 196.77 g/mol, XLogP of 2.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-azocan-4-amine;methane;hydrochloride is sourced from PubChem (CID 173145550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).