1-(2-propan-2-yloxyethyl)cycloheptan-1-amine

C12H25NO — CID 62622345

IUPAC1-(2-propan-2-yloxyethyl)cycloheptan-1-amine
SMILESCC(C)OCCC1(N)CCCCCC1
InChIInChI=1S/C12H25NO/c1-11(2)14-10-9-12(13)7-5-3-4-6-8-12/h11H,3-10,13H2,1-2H3
InChIKeyZXBGMCRCLZELQB-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.85
Rot. Bonds4

About 1-(2-propan-2-yloxyethyl)cycloheptan-1-amine

1-(2-propan-2-yloxyethyl)cycloheptan-1-amine (PubChem CID 62622345) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(2-propan-2-yloxyethyl)cycloheptan-1-amine
PubChem CID62622345
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(2-propan-2-yloxyethyl)cycloheptan-1-amine
SMILESCC(C)OCCC1(N)CCCCCC1
InChIInChI=1S/C12H25NO/c1-11(2)14-10-9-12(13)7-5-3-4-6-8-12/h11H,3-10,13H2,1-2H3
InChIKeyZXBGMCRCLZELQB-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyethyl)cycloheptan-1-amine?
The IUPAC name of 1-(2-propan-2-yloxyethyl)cycloheptan-1-amine (CID 62622345) is 1-(2-propan-2-yloxyethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(2-propan-2-yloxyethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(2-propan-2-yloxyethyl)cycloheptan-1-amine is CC(C)OCCC1(N)CCCCCC1.
What is the InChIKey of 1-(2-propan-2-yloxyethyl)cycloheptan-1-amine?
The InChIKey is ZXBGMCRCLZELQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(2)14-10-9-12(13)7-5-3-4-6-8-12/h11H,3-10,13H2,1-2H3.
What are the key properties of 1-(2-propan-2-yloxyethyl)cycloheptan-1-amine?
1-(2-propan-2-yloxyethyl)cycloheptan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyethyl)cycloheptan-1-amine is sourced from PubChem (CID 62622345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).