cis-(1S,2R)-2-propan-2-yloxycycloheptan-1-amine

C10H21NO — CID 94519420

IUPACcis-(1S,2R)-2-propan-2-yloxycycloheptan-1-amine
SMILESCC(C)O[C@@H]1CCCCC[C@@H]1N
InChIInChI=1S/C10H21NO/c1-8(2)12-10-7-5-3-4-6-9(10)11/h8-10H,3-7,11H2,1-2H3/t9-,10+/m0/s1
InChIKeyBAVZGQJPMLRYFK-VHSXEESVSA-N
MW171.28 g/mol
LogP2.07
Rot. Bonds2

About cis-(1S,2R)-2-propan-2-yloxycycloheptan-1-amine

cis-(1S,2R)-2-propan-2-yloxycycloheptan-1-amine (PubChem CID 94519420) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is cis-(1S,2R)-2-propan-2-yloxycycloheptan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-propan-2-yloxycycloheptan-1-amine
PubChem CID94519420
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Namecis-(1S,2R)-2-propan-2-yloxycycloheptan-1-amine
SMILESCC(C)O[C@@H]1CCCCC[C@@H]1N
InChIInChI=1S/C10H21NO/c1-8(2)12-10-7-5-3-4-6-9(10)11/h8-10H,3-7,11H2,1-2H3/t9-,10+/m0/s1
InChIKeyBAVZGQJPMLRYFK-VHSXEESVSA-N
XLogP2.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-propan-2-yloxycycloheptan-1-amine?
The IUPAC name of cis-(1S,2R)-2-propan-2-yloxycycloheptan-1-amine (CID 94519420) is cis-(1S,2R)-2-propan-2-yloxycycloheptan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-propan-2-yloxycycloheptan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-propan-2-yloxycycloheptan-1-amine is CC(C)O[C@@H]1CCCCC[C@@H]1N.
What is the InChIKey of cis-(1S,2R)-2-propan-2-yloxycycloheptan-1-amine?
The InChIKey is BAVZGQJPMLRYFK-VHSXEESVSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)12-10-7-5-3-4-6-9(10)11/h8-10H,3-7,11H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of cis-(1S,2R)-2-propan-2-yloxycycloheptan-1-amine?
cis-(1S,2R)-2-propan-2-yloxycycloheptan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-propan-2-yloxycycloheptan-1-amine is sourced from PubChem (CID 94519420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).