N-(3-methylpentan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine

C13H26N2 — CID 105364480

IUPACN-(3-methylpentan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCCC(C)C(C)NC1CCN2CCC1C2
InChIInChI=1S/C13H26N2/c1-4-10(2)11(3)14-13-6-8-15-7-5-12(13)9-15/h10-14H,4-9H2,1-3H3
InChIKeySIGYLMNFOSWXOA-UHFFFAOYSA-N
MW210.37 g/mol
LogP2.10
Rot. Bonds4

About N-(3-methylpentan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine

N-(3-methylpentan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364480) has the molecular formula C13H26N2 and a molecular weight of 210.37 g/mol. Its IUPAC name is N-(3-methylpentan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-(3-methylpentan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364480
Molecular FormulaC13H26N2
Molecular Weight210.37 g/mol
Exact Mass210.21
IUPAC NameN-(3-methylpentan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCCC(C)C(C)NC1CCN2CCC1C2
InChIInChI=1S/C13H26N2/c1-4-10(2)11(3)14-13-6-8-15-7-5-12(13)9-15/h10-14H,4-9H2,1-3H3
InChIKeySIGYLMNFOSWXOA-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-4-(pyrrolidin-3-yl)piperidine
CID 64434666
3-(1-Methylpyrrolidin-2-yl)piperidine
CID 219458
3-Pyrrolidin-2-ylpiperidine
CID 458601
6-Methyl-3,6-diazabicyclo(3.2.1)octane dihydrochloride
CID 13999282
3-Methyl-3,6-diazabicyclo[3.2.1]octane
CID 13999283
1-methyl-octahydro-1H-pyrrolo(3,2-c)pyridine
CID 46176554
8-Methyl-1,8-diazaspiro(4.5)decane
CID 57695054
4-[3-(Pyrrolidin-1-yl)propyl]piperidine
CID 62211827
4-(2,2-Dimethylpyrrolidin-1-yl)piperidine
CID 63219862
4-(1-Methylpyrrolidin-2-yl)piperidine
CID 66272593
rac-(3aR,7aS)-5-methyl-octahydro-1H-pyrrolo(3,2-c)pyridine
CID 68324704
(3S)-6-methyl-6-azabicyclo[3.2.1]octan-3-amine
CID 44385446

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-(3-methylpentan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine (CID 105364480) is N-(3-methylpentan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-(3-methylpentan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-(3-methylpentan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine is CCC(C)C(C)NC1CCN2CCC1C2.
What is the InChIKey of N-(3-methylpentan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is SIGYLMNFOSWXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-10(2)11(3)14-13-6-8-15-7-5-12(13)9-15/h10-14H,4-9H2,1-3H3.
What are the key properties of N-(3-methylpentan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine?
N-(3-methylpentan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 210.37 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).