N-[(3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine

C17H34N2O — CID 79092980

IUPACN-[(3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCC(C)C(C)C1)C1CN(C)CCO1
InChIInChI=1S/C17H34N2O/c1-5-8-18-17(16-12-19(4)9-10-20-16)15-7-6-13(2)14(3)11-15/h13-18H,5-12H2,1-4H3
InChIKeyJLCQQQRVQZHEDK-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.76
Rot. Bonds5

About N-[(3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine

N-[(3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine (PubChem CID 79092980) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-[(3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
PubChem CID79092980
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-[(3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCC(C)C(C)C1)C1CN(C)CCO1
InChIInChI=1S/C17H34N2O/c1-5-8-18-17(16-12-19(4)9-10-20-16)15-7-6-13(2)14(3)11-15/h13-18H,5-12H2,1-4H3
InChIKeyJLCQQQRVQZHEDK-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 65352596
(3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methanol
CID 79087480
N-[(3,4-dimethylcyclohexyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 104989527
N-[cyclopropyl-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine
CID 79664305
N-[(3,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 64739449
N-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 65399657
N-[cyclohexyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 64738638
N-[(3,4-dimethylcyclohexyl)-(oxolan-2-yl)methyl]ethanamine
CID 65328191
N-[cyclopentyl-(4-ethylmorpholin-2-yl)methyl]propan-1-amine
CID 79669822
3-methyl-1-(4-methylmorpholin-2-yl)-N-propylhexan-1-amine
CID 79093366
N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]ethanamine
CID 65352331
N-[(3,4-dimethylcyclohexyl)-(1,1-dioxothiolan-3-yl)methyl]propan-1-amine
CID 115337005

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine (CID 79092980) is N-[(3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine is CCCNC(C1CCC(C)C(C)C1)C1CN(C)CCO1.
What is the InChIKey of N-[(3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The InChIKey is JLCQQQRVQZHEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-5-8-18-17(16-12-19(4)9-10-20-16)15-7-6-13(2)14(3)11-15/h13-18H,5-12H2,1-4H3.
What are the key properties of N-[(3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
N-[(3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 79092980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).