N-[(3-methylcyclohexyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine

C16H31NO — CID 104992048

IUPACN-[(3-methylcyclohexyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCCC(C)C1)C1CCC(C)O1
InChIInChI=1S/C16H31NO/c1-4-10-17-16(15-9-8-13(3)18-15)14-7-5-6-12(2)11-14/h12-17H,4-11H2,1-3H3
InChIKeyJWPUQVVVTPPRQB-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds5

About N-[(3-methylcyclohexyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine

N-[(3-methylcyclohexyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine (PubChem CID 104992048) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[(3-methylcyclohexyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methylcyclohexyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
PubChem CID104992048
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[(3-methylcyclohexyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCCC(C)C1)C1CCC(C)O1
InChIInChI=1S/C16H31NO/c1-4-10-17-16(15-9-8-13(3)18-15)14-7-5-6-12(2)11-14/h12-17H,4-11H2,1-3H3
InChIKeyJWPUQVVVTPPRQB-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-methylcyclohexyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine (CID 104992048) is N-[(3-methylcyclohexyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-methylcyclohexyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-methylcyclohexyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine is CCCNC(C1CCCC(C)C1)C1CCC(C)O1.
What is the InChIKey of N-[(3-methylcyclohexyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine?
The InChIKey is JWPUQVVVTPPRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-10-17-16(15-9-8-13(3)18-15)14-7-5-6-12(2)11-14/h12-17H,4-11H2,1-3H3.
What are the key properties of N-[(3-methylcyclohexyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine?
N-[(3-methylcyclohexyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclohexyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 104992048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).