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

C16H30N2O2 — CID 61241579

IUPACN-(1,4-dioxan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2NCC1COCCO1
InChIInChI=1S/C16H30N2O2/c1-12(2)18-9-13-4-3-5-14(10-18)16(13)17-8-15-11-19-6-7-20-15/h12-17H,3-11H2,1-2H3
InChIKeyIHWAJYLPRYFTEQ-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.50
Rot. Bonds4

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

N-(1,4-dioxan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (PubChem CID 61241579) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
PubChem CID61241579
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2NCC1COCCO1
InChIInChI=1S/C16H30N2O2/c1-12(2)18-9-13-4-3-5-14(10-18)16(13)17-8-15-11-19-6-7-20-15/h12-17H,3-11H2,1-2H3
InChIKeyIHWAJYLPRYFTEQ-UHFFFAOYSA-N
XLogP1.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[(2-methylcyclopentyl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 107417173
N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 106024089
N-[(3-methylcyclopentyl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 107411846
3-[[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]methyl]cyclohexan-1-ol
CID 106123834
5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pentan-1-ol
CID 107316719
N-(1,4-dioxan-2-ylmethyl)-4-methylcycloheptan-1-amine
CID 65080084
trans-(1S,2S)-2-(1,4-dioxan-2-ylmethylamino)cyclopentan-1-ol
CID 102733169
N,N-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide
CID 61240808
3-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.3.1]nonan-9-amine
CID 61240803
1-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 61023563
N-(1,4-dioxan-2-ylmethyl)-2-methyloxolan-3-amine
CID 115336009
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 106394773

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (CID 61241579) is N-(1,4-dioxan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is CC(C)N1CC2CCCC(C1)C2NCC1COCCO1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The InChIKey is IHWAJYLPRYFTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(2)18-9-13-4-3-5-14(10-18)16(13)17-8-15-11-19-6-7-20-15/h12-17H,3-11H2,1-2H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
N-(1,4-dioxan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine has a molecular weight of 282.43 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 61241579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).