cis-(1S,3R)-3-aminocycloheptan-1-ol;dihydrochloride

C7H17Cl2NO — CID 175054137

IUPACcis-(1S,3R)-3-aminocycloheptan-1-ol;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCCC[C@H](O)C1
InChIInChI=1S/C7H15NO.2ClH/c8-6-3-1-2-4-7(9)5-6;;/h6-7,9H,1-5,8H2;2*1H/t6-,7+;;/m1../s1
InChIKeyALLKUBFADBCDQI-VJBFUYBPSA-N
MW202.12 g/mol
LogP1.48
Rot. Bonds

About cis-(1S,3R)-3-aminocycloheptan-1-ol;dihydrochloride

cis-(1S,3R)-3-aminocycloheptan-1-ol;dihydrochloride (PubChem CID 175054137) has the molecular formula C7H17Cl2NO and a molecular weight of 202.12 g/mol. Its IUPAC name is cis-(1S,3R)-3-aminocycloheptan-1-ol;dihydrochloride.

Molecular Properties

Compound Namecis-(1S,3R)-3-aminocycloheptan-1-ol;dihydrochloride
PubChem CID175054137
Molecular FormulaC7H17Cl2NO
Molecular Weight202.12 g/mol
Exact Mass201.07
IUPAC Namecis-(1S,3R)-3-aminocycloheptan-1-ol;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCCC[C@H](O)C1
InChIInChI=1S/C7H15NO.2ClH/c8-6-3-1-2-4-7(9)5-6;;/h6-7,9H,1-5,8H2;2*1H/t6-,7+;;/m1../s1
InChIKeyALLKUBFADBCDQI-VJBFUYBPSA-N
XLogP1.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.12
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-aminocyclopentan-1-ol;hydrochloride
CID 56845289
cis-(1R,3S)-3-aminocyclopentan-1-ol;dihydrochloride
CID 121471734
3-aminocyclopentan-1-ol;ethane
CID 144981128
cis-(1S,3R)-cyclooctane-1,3-diol
CID 59075450
cyclopentanol;dihydrochloride
CID 86599054
5-aminocyclohexane-1,3-diol;hydrochloride
CID 172581218
cis-(1S,4R)-4-aminocycloheptan-1-ol
CID 15458399
cis-(1R,3S)-cyclohexane-1,3-diol
CID 6432741
trans-(1R,3R)-cyclohexane-1,3-diol
CID 6950744
potassium cyclohexane-1,3-diol
CID 22067166
cis-(1S,3R)-cyclohexane-1,3-diol;copper
CID 68514238
3-(3-hydroxycyclohexyl)cycloheptan-1-ol
CID 129132382

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-aminocycloheptan-1-ol;dihydrochloride?
The IUPAC name of cis-(1S,3R)-3-aminocycloheptan-1-ol;dihydrochloride (CID 175054137) is cis-(1S,3R)-3-aminocycloheptan-1-ol;dihydrochloride.
What is the SMILES notation for cis-(1S,3R)-3-aminocycloheptan-1-ol;dihydrochloride?
The canonical SMILES for cis-(1S,3R)-3-aminocycloheptan-1-ol;dihydrochloride is Cl.Cl.N[C@@H]1CCCC[C@H](O)C1.
What is the InChIKey of cis-(1S,3R)-3-aminocycloheptan-1-ol;dihydrochloride?
The InChIKey is ALLKUBFADBCDQI-VJBFUYBPSA-N. The full InChI is InChI=1S/C7H15NO.2ClH/c8-6-3-1-2-4-7(9)5-6;;/h6-7,9H,1-5,8H2;2*1H/t6-,7+;;/m1../s1.
What are the key properties of cis-(1S,3R)-3-aminocycloheptan-1-ol;dihydrochloride?
cis-(1S,3R)-3-aminocycloheptan-1-ol;dihydrochloride has a molecular weight of 202.12 g/mol, XLogP of 1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-aminocycloheptan-1-ol;dihydrochloride is sourced from PubChem (CID 175054137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).