cis-(1S,4R)-4-aminocycloheptan-1-ol

C7H15NO — CID 15458399

IUPACcis-(1S,4R)-4-aminocycloheptan-1-ol
SMILESN[C@@H]1CCC[C@H](O)CC1
InChIInChI=1S/C7H15NO/c8-6-2-1-3-7(9)5-4-6/h6-7,9H,1-5,8H2/t6-,7+/m1/s1
InChIKeySDTKRRSCXYJDFE-RQJHMYQMSA-N
MW129.20 g/mol
LogP0.64
Rot. Bonds

About cis-(1S,4R)-4-aminocycloheptan-1-ol

cis-(1S,4R)-4-aminocycloheptan-1-ol (PubChem CID 15458399) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is cis-(1S,4R)-4-aminocycloheptan-1-ol.

Molecular Properties

Compound Namecis-(1S,4R)-4-aminocycloheptan-1-ol
PubChem CID15458399
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Namecis-(1S,4R)-4-aminocycloheptan-1-ol
SMILESN[C@@H]1CCC[C@H](O)CC1
InChIInChI=1S/C7H15NO/c8-6-2-1-3-7(9)5-4-6/h6-7,9H,1-5,8H2/t6-,7+/m1/s1
InChIKeySDTKRRSCXYJDFE-RQJHMYQMSA-N
XLogP0.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino(1,2,3,4,5,6-13C6)cyclohexan-1-ol
CID 172990620
cyclopropanamine;cyclopropanol
CID 67718225
cyclobutanol;cyclopropanol
CID 175019048
cis-(1S,3R)-3-aminocycloheptan-1-ol;dihydrochloride
CID 175054137
cyclohexane-1,4-diol
CID 11162
cis-(1R,3S)-3-aminocyclopentan-1-ol;hydrochloride
CID 56845289
cis-(1R,3S)-3-aminocyclopentan-1-ol;dihydrochloride
CID 121471734
pentakis(cyclopentanol);hafnium
CID 142301948
cyclopentanol;hafnium
CID 150405183
CID 175698442
CID 175698442
azane;cyclopentanamine
CID 69254255
cyclohexanol;cyclooctanol
CID 22461579

Frequently Asked Questions

What is the IUPAC name of cis-(1S,4R)-4-aminocycloheptan-1-ol?
The IUPAC name of cis-(1S,4R)-4-aminocycloheptan-1-ol (CID 15458399) is cis-(1S,4R)-4-aminocycloheptan-1-ol.
What is the SMILES notation for cis-(1S,4R)-4-aminocycloheptan-1-ol?
The canonical SMILES for cis-(1S,4R)-4-aminocycloheptan-1-ol is N[C@@H]1CCC[C@H](O)CC1.
What is the InChIKey of cis-(1S,4R)-4-aminocycloheptan-1-ol?
The InChIKey is SDTKRRSCXYJDFE-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H15NO/c8-6-2-1-3-7(9)5-4-6/h6-7,9H,1-5,8H2/t6-,7+/m1/s1.
What are the key properties of cis-(1S,4R)-4-aminocycloheptan-1-ol?
cis-(1S,4R)-4-aminocycloheptan-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,4R)-4-aminocycloheptan-1-ol is sourced from PubChem (CID 15458399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).