N-[[1-(oxan-4-yloxy)-4-propylcyclohexyl]methyl]propan-2-amine

C18H35NO2 — CID 62107163

IUPACN-[[1-(oxan-4-yloxy)-4-propylcyclohexyl]methyl]propan-2-amine
SMILESCCCC1CCC(CNC(C)C)(OC2CCOCC2)CC1
InChIInChI=1S/C18H35NO2/c1-4-5-16-6-10-18(11-7-16,14-19-15(2)3)21-17-8-12-20-13-9-17/h15-17,19H,4-14H2,1-3H3
InChIKeyJTSWERLFBISAJB-UHFFFAOYSA-N
MW297.48 g/mol
LogP3.91
Rot. Bonds7

About N-[[1-(oxan-4-yloxy)-4-propylcyclohexyl]methyl]propan-2-amine

N-[[1-(oxan-4-yloxy)-4-propylcyclohexyl]methyl]propan-2-amine (PubChem CID 62107163) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is N-[[1-(oxan-4-yloxy)-4-propylcyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(oxan-4-yloxy)-4-propylcyclohexyl]methyl]propan-2-amine
PubChem CID62107163
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC NameN-[[1-(oxan-4-yloxy)-4-propylcyclohexyl]methyl]propan-2-amine
SMILESCCCC1CCC(CNC(C)C)(OC2CCOCC2)CC1
InChIInChI=1S/C18H35NO2/c1-4-5-16-6-10-18(11-7-16,14-19-15(2)3)21-17-8-12-20-13-9-17/h15-17,19H,4-14H2,1-3H3
InChIKeyJTSWERLFBISAJB-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]propan-2-amine
CID 63473518
N-[[1-(2-propoxyethoxy)-4-propylcyclohexyl]methyl]propan-2-amine
CID 63686920
N-[[1-(oxan-4-yloxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 62107337
N-[(1-cycloheptyloxycycloheptyl)methyl]propan-2-amine
CID 63473769
N-[[1-(oxan-4-yloxy)cyclopentyl]methyl]ethanamine
CID 62106808
N-[[1-(oxan-4-yloxy)cyclohexyl]methyl]propan-1-amine
CID 62106086
N-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62258098
[1-(oxetan-3-yloxy)-4-propylcyclohexyl]methanamine
CID 115669701
1-[4-ethyl-1-(oxolan-3-yloxy)cyclohexyl]-N-methylmethanamine
CID 63556495
N-[[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 63494206
N-[[1-(3,4-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-2-amine
CID 64744957
N-[(1-cyclobutyloxy-3-methylcyclohexyl)methyl]propan-2-amine
CID 62383858

Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxan-4-yloxy)-4-propylcyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(oxan-4-yloxy)-4-propylcyclohexyl]methyl]propan-2-amine (CID 62107163) is N-[[1-(oxan-4-yloxy)-4-propylcyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(oxan-4-yloxy)-4-propylcyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(oxan-4-yloxy)-4-propylcyclohexyl]methyl]propan-2-amine is CCCC1CCC(CNC(C)C)(OC2CCOCC2)CC1.
What is the InChIKey of N-[[1-(oxan-4-yloxy)-4-propylcyclohexyl]methyl]propan-2-amine?
The InChIKey is JTSWERLFBISAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-4-5-16-6-10-18(11-7-16,14-19-15(2)3)21-17-8-12-20-13-9-17/h15-17,19H,4-14H2,1-3H3.
What are the key properties of N-[[1-(oxan-4-yloxy)-4-propylcyclohexyl]methyl]propan-2-amine?
N-[[1-(oxan-4-yloxy)-4-propylcyclohexyl]methyl]propan-2-amine has a molecular weight of 297.48 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxan-4-yloxy)-4-propylcyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 62107163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).