N,N-dimethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine

C13H26N2 — CID 174357635

IUPACN,N-dimethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(C)N1C2CCCC1CC(N(C)C)C2
InChIInChI=1S/C13H26N2/c1-10(2)15-11-6-5-7-12(15)9-13(8-11)14(3)4/h10-13H,5-9H2,1-4H3
InChIKeyKDTZDGBCHYOLFV-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.34
Rot. Bonds2

About N,N-dimethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine

N,N-dimethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 174357635) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N,N-dimethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID174357635
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN,N-dimethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(C)N1C2CCCC1CC(N(C)C)C2
InChIInChI=1S/C13H26N2/c1-10(2)15-11-6-5-7-12(15)9-13(8-11)14(3)4/h10-13H,5-9H2,1-4H3
InChIKeyKDTZDGBCHYOLFV-UHFFFAOYSA-N
XLogP2.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,3R)-N,N-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 66602973
10-propan-2-yl-10-azabicyclo[4.3.1]decane
CID 58967881
(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine
CID 162446493
8,10-di(propan-2-yl)-10-azabicyclo[4.3.1]decane
CID 59450891
3-ethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonane
CID 126703648
trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine
CID 101240385
trans-(1S,3S)-N-ethyl-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 66634462
cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine
CID 142193437
2,3,9-tri(propan-2-yl)-9-azabicyclo[3.3.1]nonane
CID 58449983
2-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 82241138
(3R)-9-propan-2-yl-9-azabicyclo[4.2.1]nonan-3-amine
CID 175639262
N,N,9-trimethyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
CID 118447435

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N,N-dimethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine (CID 174357635) is N,N-dimethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N,N-dimethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N,N-dimethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine is CC(C)N1C2CCCC1CC(N(C)C)C2.
What is the InChIKey of N,N-dimethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is KDTZDGBCHYOLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10(2)15-11-6-5-7-12(15)9-13(8-11)14(3)4/h10-13H,5-9H2,1-4H3.
What are the key properties of N,N-dimethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine?
N,N-dimethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 210.36 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 174357635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).