N-methyl-9-(oxolan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine

C14H26N2O — CID 62711980

IUPACN-methyl-9-(oxolan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2CC1CCCO1
InChIInChI=1S/C14H26N2O/c1-15-11-8-12-4-2-5-13(9-11)16(12)10-14-6-3-7-17-14/h11-15H,2-10H2,1H3
InChIKeyKKXWQLZBUBPFRS-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.77
Rot. Bonds3

About N-methyl-9-(oxolan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine

N-methyl-9-(oxolan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62711980) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-methyl-9-(oxolan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-methyl-9-(oxolan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62711980
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-methyl-9-(oxolan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2CC1CCCO1
InChIInChI=1S/C14H26N2O/c1-15-11-8-12-4-2-5-13(9-11)16(12)10-14-6-3-7-17-14/h11-15H,2-10H2,1H3
InChIKeyKKXWQLZBUBPFRS-UHFFFAOYSA-N
XLogP1.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(oxolan-2-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106138
9-(cyclopropylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713964
N-methyl-8-[2-(oxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 114136231
9-[2-(oxolan-2-yl)ethyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713145
9-(1,4-dioxan-2-ylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713469
N-methyl-9-(3-morpholin-4-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712744
N-methyl-9-(2-methylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 114619140
1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine
CID 117027418
N-methyl-8-(oxan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63361717
5-chloro-2-methoxy-N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 54768936
N,N-dimethyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 62713631
N-cyclopropyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 62712025

Frequently Asked Questions

What is the IUPAC name of N-methyl-9-(oxolan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-methyl-9-(oxolan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 62711980) is N-methyl-9-(oxolan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-methyl-9-(oxolan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-methyl-9-(oxolan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine is CNC1CC2CCCC(C1)N2CC1CCCO1.
What is the InChIKey of N-methyl-9-(oxolan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is KKXWQLZBUBPFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-15-11-8-12-4-2-5-13(9-11)16(12)10-14-6-3-7-17-14/h11-15H,2-10H2,1H3.
What are the key properties of N-methyl-9-(oxolan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
N-methyl-9-(oxolan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 238.37 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-(oxolan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62711980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).