1-(oxan-3-yl)-4-propan-2-ylcycloheptan-1-amine

C15H29NO — CID 107135848

IUPAC1-(oxan-3-yl)-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(N)(C2CCCOC2)CC1
InChIInChI=1S/C15H29NO/c1-12(2)13-5-3-8-15(16,9-7-13)14-6-4-10-17-11-14/h12-14H,3-11,16H2,1-2H3
InChIKeyYZXMNZWIXLPMTJ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.35
Rot. Bonds2

About 1-(oxan-3-yl)-4-propan-2-ylcycloheptan-1-amine

1-(oxan-3-yl)-4-propan-2-ylcycloheptan-1-amine (PubChem CID 107135848) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(oxan-3-yl)-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(oxan-3-yl)-4-propan-2-ylcycloheptan-1-amine
PubChem CID107135848
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(oxan-3-yl)-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(N)(C2CCCOC2)CC1
InChIInChI=1S/C15H29NO/c1-12(2)13-5-3-8-15(16,9-7-13)14-6-4-10-17-11-14/h12-14H,3-11,16H2,1-2H3
InChIKeyYZXMNZWIXLPMTJ-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(oxan-3-yl)-4-propan-2-ylcycloheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of 1-(oxan-3-yl)-4-propan-2-ylcycloheptan-1-amine (CID 107135848) is 1-(oxan-3-yl)-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for 1-(oxan-3-yl)-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for 1-(oxan-3-yl)-4-propan-2-ylcycloheptan-1-amine is CC(C)C1CCCC(N)(C2CCCOC2)CC1.
What is the InChIKey of 1-(oxan-3-yl)-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is YZXMNZWIXLPMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(2)13-5-3-8-15(16,9-7-13)14-6-4-10-17-11-14/h12-14H,3-11,16H2,1-2H3.
What are the key properties of 1-(oxan-3-yl)-4-propan-2-ylcycloheptan-1-amine?
1-(oxan-3-yl)-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 107135848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).