N,N,N'-trimethyl-N'-[(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl)methyl]ethane-1,2-diamine

C15H31N3O — CID 170616870

IUPACN,N,N'-trimethyl-N'-[(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl)methyl]ethane-1,2-diamine
SMILESCC(C)N1CC2CC(CN(C)CCN(C)C)C(C1)O2
InChIInChI=1S/C15H31N3O/c1-12(2)18-10-14-8-13(15(11-18)19-14)9-17(5)7-6-16(3)4/h12-15H,6-11H2,1-5H3
InChIKeyIOQKMDVZBOSLEY-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.98
Rot. Bonds6

About N,N,N'-trimethyl-N'-[(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl)methyl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl)methyl]ethane-1,2-diamine (PubChem CID 170616870) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl)methyl]ethane-1,2-diamine
PubChem CID170616870
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN,N,N'-trimethyl-N'-[(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl)methyl]ethane-1,2-diamine
SMILESCC(C)N1CC2CC(CN(C)CCN(C)C)C(C1)O2
InChIInChI=1S/C15H31N3O/c1-12(2)18-10-14-8-13(15(11-18)19-14)9-17(5)7-6-16(3)4/h12-15H,6-11H2,1-5H3
InChIKeyIOQKMDVZBOSLEY-UHFFFAOYSA-N
XLogP0.98
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N,N'-trimethyl-N'-[(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl)methyl]ethane-1,2-diamine with MolForge

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Related Compounds

N-(cyclopropylmethyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine
CID 75400617
(1R)-5-fluoro-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane
CID 169658952
(1S,5S)-5-fluoro-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane
CID 169658954
(1R,5R)-1-fluoro-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane
CID 169658981
(1R,4R,5S)-4-fluoro-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane
CID 169658984
(1R,4S,5S)-4-fluoro-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane
CID 169658985
(1S,4R,5R)-4-fluoro-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane
CID 169659025
(5R)-1-fluoro-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane
CID 176594083
(5S)-1-fluoro-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane
CID 176594185
3-(2-Fluorobutyl)-6-oxa-3-azabicyclo[3.2.1]octane
CID 130668557
6-Propoxy-1-azabicyclo[3.2.1]octane
CID 19848699
6-Ethoxy-1-azabicyclo[3.2.1]octane
CID 19848700

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl)methyl]ethane-1,2-diamine (CID 170616870) is N,N,N'-trimethyl-N'-[(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl)methyl]ethane-1,2-diamine is CC(C)N1CC2CC(CN(C)CCN(C)C)C(C1)O2.
What is the InChIKey of N,N,N'-trimethyl-N'-[(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl)methyl]ethane-1,2-diamine?
The InChIKey is IOQKMDVZBOSLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-12(2)18-10-14-8-13(15(11-18)19-14)9-17(5)7-6-16(3)4/h12-15H,6-11H2,1-5H3.
What are the key properties of N,N,N'-trimethyl-N'-[(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl)methyl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl)methyl]ethane-1,2-diamine has a molecular weight of 269.43 g/mol, XLogP of 0.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 170616870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).