9-(1,4-dioxan-2-ylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine

C15H28N2O2 — CID 62713469

IUPAC9-(1,4-dioxan-2-ylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCNC1CC2CCCC(C1)N2CC1COCCO1
InChIInChI=1S/C15H28N2O2/c1-2-16-12-8-13-4-3-5-14(9-12)17(13)10-15-11-18-6-7-19-15/h12-16H,2-11H2,1H3
InChIKeyCODXUVSVVROXFP-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.40
Rot. Bonds4

About 9-(1,4-dioxan-2-ylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine

9-(1,4-dioxan-2-ylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62713469) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 9-(1,4-dioxan-2-ylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(1,4-dioxan-2-ylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62713469
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name9-(1,4-dioxan-2-ylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCNC1CC2CCCC(C1)N2CC1COCCO1
InChIInChI=1S/C15H28N2O2/c1-2-16-12-8-13-4-3-5-14(9-12)17(13)10-15-11-18-6-7-19-15/h12-16H,2-11H2,1H3
InChIKeyCODXUVSVVROXFP-UHFFFAOYSA-N
XLogP1.40
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-(1,4-dioxan-2-ylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine with MolForge

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Related Compounds

9-(cyclobutylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713983
N-ethyl-8-[(4-methylmorpholin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 79071084
N-ethyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712172
N-methyl-9-(oxolan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711980
8-(oxolan-2-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106138
N-ethyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712214
N-ethyl-8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62738650
8-(1,4-dioxan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62739623
8-(oxolan-3-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62824400
3-N-ethyl-9-N,9-N-dimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine
CID 83024792
9-cycloheptyl-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106081
9-[2-(oxolan-2-yl)ethyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713145

Frequently Asked Questions

What is the IUPAC name of 9-(1,4-dioxan-2-ylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(1,4-dioxan-2-ylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 62713469) is 9-(1,4-dioxan-2-ylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(1,4-dioxan-2-ylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(1,4-dioxan-2-ylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine is CCNC1CC2CCCC(C1)N2CC1COCCO1.
What is the InChIKey of 9-(1,4-dioxan-2-ylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is CODXUVSVVROXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-16-12-8-13-4-3-5-14(9-12)17(13)10-15-11-18-6-7-19-15/h12-16H,2-11H2,1H3.
What are the key properties of 9-(1,4-dioxan-2-ylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-(1,4-dioxan-2-ylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 268.40 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,4-dioxan-2-ylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62713469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).