N-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen

C8H20N2 — CID 177033452

IUPACN-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
SMILESCNC1CCN(C(C)C)C1.[H][H]
InChIInChI=1S/C8H18N2.H2/c1-7(2)10-5-4-8(6-10)9-3;/h7-9H,4-6H2,1-3H3;1H
InChIKeyWBWOHMYQFGIOLZ-UHFFFAOYSA-N
MW144.26 g/mol
LogP0.93
Rot. Bonds2

About N-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen

N-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen (PubChem CID 177033452) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is N-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen.

Molecular Properties

Compound NameN-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
PubChem CID177033452
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC NameN-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
SMILESCNC1CCN(C(C)C)C1.[H][H]
InChIInChI=1S/C8H18N2.H2/c1-7(2)10-5-4-8(6-10)9-3;/h7-9H,4-6H2,1-3H3;1H
InChIKeyWBWOHMYQFGIOLZ-UHFFFAOYSA-N
XLogP0.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 55299463
(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine
CID 94057880
N-methyl-1-propan-2-ylazetidin-3-amine
CID 22952913
1-propan-2-yl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71632965
(1-propan-2-ylpyrrolidin-3-yl)cyanamide
CID 130950441
(3R)-N,6-dimethyl-1-propan-2-ylazepan-3-amine
CID 174295591
N-methyl-1-(3-methylpentan-2-yl)pyrrolidin-3-amine
CID 61463771
1-propan-2-yl-N-(2,2,3,3-tetramethylcyclopropyl)pyrrolidin-3-amine
CID 79352090
N-(1-cyclobutylethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 115717125
N-(2-methylcyclopropyl)-1-propan-2-ylpyrrolidin-3-amine
CID 62396542
N-(3-methyl-2-propan-2-ylbutyl)-1-propan-2-ylpyrrolidin-3-amine
CID 102904528
N-but-3-yn-2-yl-1-propan-2-ylpyrrolidin-3-amine
CID 114415416

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen?
The IUPAC name of N-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen (CID 177033452) is N-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen.
What is the SMILES notation for N-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen?
The canonical SMILES for N-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen is CNC1CCN(C(C)C)C1.[H][H].
What is the InChIKey of N-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen?
The InChIKey is WBWOHMYQFGIOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.H2/c1-7(2)10-5-4-8(6-10)9-3;/h7-9H,4-6H2,1-3H3;1H.
What are the key properties of N-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen?
N-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen has a molecular weight of 144.26 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen is sourced from PubChem (CID 177033452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).