N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-ethylcyclohexan-1-amine

C14H25NO — CID 62064761

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C14H25NO/c1-2-12-6-8-13(9-7-12)15-11-14-5-3-4-10-16-14/h4,10,12-15H,2-3,5-9,11H2,1H3
InChIKeyFZEKDLGVOOEBRC-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.24
Rot. Bonds4

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-ethylcyclohexan-1-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-ethylcyclohexan-1-amine (PubChem CID 62064761) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-ethylcyclohexan-1-amine
PubChem CID62064761
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C14H25NO/c1-2-12-6-8-13(9-7-12)15-11-14-5-3-4-10-16-14/h4,10,12-15H,2-3,5-9,11H2,1H3
InChIKeyFZEKDLGVOOEBRC-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-ethylcyclohexan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-ethylcyclohexan-1-amine (CID 62064761) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-ethylcyclohexan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-ethylcyclohexan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-ethylcyclohexan-1-amine is CCC1CCC(NCC2CCC=CO2)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-ethylcyclohexan-1-amine?
The InChIKey is FZEKDLGVOOEBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-12-6-8-13(9-7-12)15-11-14-5-3-4-10-16-14/h4,10,12-15H,2-3,5-9,11H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-ethylcyclohexan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-ethylcyclohexan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 62064761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).