N-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine

C16H31NO — CID 65164076

IUPACN-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
SMILESCC1CCC(CCNCCCC2CCCO2)CC1
InChIInChI=1S/C16H31NO/c1-14-6-8-15(9-7-14)10-12-17-11-2-4-16-5-3-13-18-16/h14-17H,2-13H2,1H3
InChIKeyPTJVEDGVAYSYQI-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds7

About N-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine

N-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine (PubChem CID 65164076) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
PubChem CID65164076
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
SMILESCC1CCC(CCNCCCC2CCCO2)CC1
InChIInChI=1S/C16H31NO/c1-14-6-8-15(9-7-14)10-12-17-11-2-4-16-5-3-13-18-16/h14-17H,2-13H2,1H3
InChIKeyPTJVEDGVAYSYQI-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(oxolan-2-yl)ethyl]nonan-1-amine
CID 61039120
N-(3-iodopropyl)-3-(oxolan-2-yl)propan-1-amine
CID 114503922
3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 102551342
N-(2-methylsulfinylethyl)-3-(oxolan-2-yl)propan-1-amine
CID 104668632
6-chloro-N-[3-(oxolan-2-yl)propyl]hexan-1-amine
CID 107845985
5-[3-(oxolan-2-yl)propylamino]pentan-2-ol
CID 107272097
N',N'-dimethyl-N-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine
CID 65164090
2-methoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
CID 104668685
2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol
CID 104668588
3-cyclopentyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 60985345
N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-propan-2-ylethane-1,2-diamine
CID 65163903
3-cyclohexyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 60985486

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine (CID 65164076) is N-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine is CC1CCC(CCNCCCC2CCCO2)CC1.
What is the InChIKey of N-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is PTJVEDGVAYSYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-14-6-8-15(9-7-14)10-12-17-11-2-4-16-5-3-13-18-16/h14-17H,2-13H2,1H3.
What are the key properties of N-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine?
N-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 65164076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).