N-[1-(oxolan-2-yl)ethyl]-4-propylcyclohexan-1-amine

C15H29NO — CID 43111522

IUPACN-[1-(oxolan-2-yl)ethyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC(C)C2CCCO2)CC1
InChIInChI=1S/C15H29NO/c1-3-5-13-7-9-14(10-8-13)16-12(2)15-6-4-11-17-15/h12-16H,3-11H2,1-2H3
InChIKeyLYHBIGOMTJRLNZ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds5

About N-[1-(oxolan-2-yl)ethyl]-4-propylcyclohexan-1-amine

N-[1-(oxolan-2-yl)ethyl]-4-propylcyclohexan-1-amine (PubChem CID 43111522) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-4-propylcyclohexan-1-amine
PubChem CID43111522
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC(C)C2CCCO2)CC1
InChIInChI=1S/C15H29NO/c1-3-5-13-7-9-14(10-8-13)16-12(2)15-6-4-11-17-15/h12-16H,3-11H2,1-2H3
InChIKeyLYHBIGOMTJRLNZ-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-4-propylcyclohexan-1-amine?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-4-propylcyclohexan-1-amine (CID 43111522) is N-[1-(oxolan-2-yl)ethyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-4-propylcyclohexan-1-amine is CCCC1CCC(NC(C)C2CCCO2)CC1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-4-propylcyclohexan-1-amine?
The InChIKey is LYHBIGOMTJRLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-5-13-7-9-14(10-8-13)16-12(2)15-6-4-11-17-15/h12-16H,3-11H2,1-2H3.
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-4-propylcyclohexan-1-amine?
N-[1-(oxolan-2-yl)ethyl]-4-propylcyclohexan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 43111522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).