N-(3-ethoxycyclobutyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C15H28N2O — CID 112554632

IUPACN-(3-ethoxycyclobutyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCOC1CC(NC2CC3CCCC(C2)N3C)C1
InChIInChI=1S/C15H28N2O/c1-3-18-15-9-12(10-15)16-11-7-13-5-4-6-14(8-11)17(13)2/h11-16H,3-10H2,1-2H3
InChIKeyNLDSZCMNBPWKIE-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.16
Rot. Bonds4

About N-(3-ethoxycyclobutyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

N-(3-ethoxycyclobutyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 112554632) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-(3-ethoxycyclobutyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-(3-ethoxycyclobutyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID112554632
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-(3-ethoxycyclobutyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCOC1CC(NC2CC3CCCC(C2)N3C)C1
InChIInChI=1S/C15H28N2O/c1-3-18-15-9-12(10-15)16-11-7-13-5-4-6-14(8-11)17(13)2/h11-16H,3-10H2,1-2H3
InChIKeyNLDSZCMNBPWKIE-UHFFFAOYSA-N
XLogP2.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471027
N-(3-ethoxycyclobutyl)-3-propan-2-ylcyclohexan-1-amine
CID 103917446
9-methyl-N-(oxetan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471249
N-(3-ethoxycyclobutyl)-2,6-dimethylcyclohexan-1-amine
CID 103917407
N-(4-ethylcycloheptyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470279
4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1,4-diamine
CID 79741156
9-methyl-N-[3-(2-methylpropyl)cyclohexyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 107428543
N-cyclopropyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131525
N-ethoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 82709444
3-[(3-ethoxycyclobutyl)amino]-1-methylpyrrolidin-2-one
CID 103917757
(1R,5S)-N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 667781
tert-butyl 3-[(3-ethoxycyclobutyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 103921567

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxycyclobutyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-(3-ethoxycyclobutyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 112554632) is N-(3-ethoxycyclobutyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-(3-ethoxycyclobutyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-(3-ethoxycyclobutyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CCOC1CC(NC2CC3CCCC(C2)N3C)C1.
What is the InChIKey of N-(3-ethoxycyclobutyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is NLDSZCMNBPWKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-18-15-9-12(10-15)16-11-7-13-5-4-6-14(8-11)17(13)2/h11-16H,3-10H2,1-2H3.
What are the key properties of N-(3-ethoxycyclobutyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-(3-ethoxycyclobutyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 252.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxycyclobutyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 112554632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).