4-methyl-N-[1-(oxolan-2-yl)propyl]cyclohexan-1-amine

C14H27NO — CID 115896540

IUPAC4-methyl-N-[1-(oxolan-2-yl)propyl]cyclohexan-1-amine
SMILESCCC(NC1CCC(C)CC1)C1CCCO1
InChIInChI=1S/C14H27NO/c1-3-13(14-5-4-10-16-14)15-12-8-6-11(2)7-9-12/h11-15H,3-10H2,1-2H3
InChIKeyRURQFYICAWJRCS-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds4

About 4-methyl-N-[1-(oxolan-2-yl)propyl]cyclohexan-1-amine

4-methyl-N-[1-(oxolan-2-yl)propyl]cyclohexan-1-amine (PubChem CID 115896540) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-methyl-N-[1-(oxolan-2-yl)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[1-(oxolan-2-yl)propyl]cyclohexan-1-amine
PubChem CID115896540
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-methyl-N-[1-(oxolan-2-yl)propyl]cyclohexan-1-amine
SMILESCCC(NC1CCC(C)CC1)C1CCCO1
InChIInChI=1S/C14H27NO/c1-3-13(14-5-4-10-16-14)15-12-8-6-11(2)7-9-12/h11-15H,3-10H2,1-2H3
InChIKeyRURQFYICAWJRCS-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(oxolan-2-yl)propyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-[1-(oxolan-2-yl)propyl]cyclohexan-1-amine (CID 115896540) is 4-methyl-N-[1-(oxolan-2-yl)propyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-[1-(oxolan-2-yl)propyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-[1-(oxolan-2-yl)propyl]cyclohexan-1-amine is CCC(NC1CCC(C)CC1)C1CCCO1.
What is the InChIKey of 4-methyl-N-[1-(oxolan-2-yl)propyl]cyclohexan-1-amine?
The InChIKey is RURQFYICAWJRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-13(14-5-4-10-16-14)15-12-8-6-11(2)7-9-12/h11-15H,3-10H2,1-2H3.
What are the key properties of 4-methyl-N-[1-(oxolan-2-yl)propyl]cyclohexan-1-amine?
4-methyl-N-[1-(oxolan-2-yl)propyl]cyclohexan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(oxolan-2-yl)propyl]cyclohexan-1-amine is sourced from PubChem (CID 115896540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).