N-ethyl-8-[(4-methylmorpholin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C15H29N3O — CID 79071084

IUPACN-ethyl-8-[(4-methylmorpholin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2CC1CN(C)CCO1
InChIInChI=1S/C15H29N3O/c1-3-16-12-8-13-4-5-14(9-12)18(13)11-15-10-17(2)6-7-19-15/h12-16H,3-11H2,1-2H3
InChIKeyWLGHAWXPHLAMNV-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.92
Rot. Bonds4

About N-ethyl-8-[(4-methylmorpholin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-8-[(4-methylmorpholin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 79071084) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-ethyl-8-[(4-methylmorpholin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-8-[(4-methylmorpholin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID79071084
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-ethyl-8-[(4-methylmorpholin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2CC1CN(C)CCO1
InChIInChI=1S/C15H29N3O/c1-3-16-12-8-13-4-5-14(9-12)18(13)11-15-10-17(2)6-7-19-15/h12-16H,3-11H2,1-2H3
InChIKeyWLGHAWXPHLAMNV-UHFFFAOYSA-N
XLogP0.92
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-8-[(1-methylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 55106669
9-(1,4-dioxan-2-ylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713469
N-ethyl-8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62738650
3-(ethylamino)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-2-one
CID 79071630
7-[(4-methylmorpholin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79182011
9-(cyclobutylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713983
8-[(1-methylpiperidin-4-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740031
N-ethyl-8-[(1-methylpyrrolidin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 114137824
8-(oxolan-2-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106138
2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-N-propylpiperidin-4-amine
CID 79071844
1-cyclopropyl-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-3-amine
CID 115871558
8-(oxolan-3-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62824400

Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-[(4-methylmorpholin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-8-[(4-methylmorpholin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 79071084) is N-ethyl-8-[(4-methylmorpholin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-8-[(4-methylmorpholin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-8-[(4-methylmorpholin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2CC1CN(C)CCO1.
What is the InChIKey of N-ethyl-8-[(4-methylmorpholin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is WLGHAWXPHLAMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-16-12-8-13-4-5-14(9-12)18(13)11-15-10-17(2)6-7-19-15/h12-16H,3-11H2,1-2H3.
What are the key properties of N-ethyl-8-[(4-methylmorpholin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-8-[(4-methylmorpholin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 267.42 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-[(4-methylmorpholin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 79071084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).