(2R,4S)-2,4-dimethylpyrrolidin-1-amine

C6H14N2 — CID 67681309

IUPAC(2R,4S)-2,4-dimethylpyrrolidin-1-amine
SMILESC[C@H]1C[C@@H](C)N(N)C1
InChIInChI=1S/C6H14N2/c1-5-3-6(2)8(7)4-5/h5-6H,3-4,7H2,1-2H3/t5-,6+/m0/s1
InChIKeyGREWXAZMVATSNZ-NTSWFWBYSA-N
MW114.19 g/mol
LogP0.59
Rot. Bonds

About (2R,4S)-2,4-dimethylpyrrolidin-1-amine

(2R,4S)-2,4-dimethylpyrrolidin-1-amine (PubChem CID 67681309) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is (2R,4S)-2,4-dimethylpyrrolidin-1-amine.

Molecular Properties

Compound Name(2R,4S)-2,4-dimethylpyrrolidin-1-amine
PubChem CID67681309
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name(2R,4S)-2,4-dimethylpyrrolidin-1-amine
SMILESC[C@H]1C[C@@H](C)N(N)C1
InChIInChI=1S/C6H14N2/c1-5-3-6(2)8(7)4-5/h5-6H,3-4,7H2,1-2H3/t5-,6+/m0/s1
InChIKeyGREWXAZMVATSNZ-NTSWFWBYSA-N
XLogP0.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

2,5-Dimethylpyrrolidin-1-amine
CID 21402775
4,4-Difluoro-2-propan-2-ylpyrrolidin-1-amine
CID 123290766
4-Fluoro-2-propan-2-ylpyrrolidin-1-amine
CID 123700241
1-Pyrrolidinamine,2-methyl-,(R)-(9CI)
CID 15701006
2-Ethylpyrrolidin-1-amine
CID 17876153
2-Propan-2-ylpyrrolidin-1-amine
CID 19691257
2-Methylpyrrolidin-1-amine
CID 20340453
3-Methylpyrrolidin-1-amine
CID 21646193
2,2-Dimethylpyrrolidin-1-amine
CID 67531159
(1R,3R,5R)-3-methyl-2-azabicyclo[3.1.0]hexan-2-amine
CID 67681325
cis-2,5-Dimethylpyrrolidin-1-amine
CID 67681327
(3R)-3-methyl-2-azabicyclo[3.1.0]hexan-2-amine
CID 67681747

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2,4-dimethylpyrrolidin-1-amine?
The IUPAC name of (2R,4S)-2,4-dimethylpyrrolidin-1-amine (CID 67681309) is (2R,4S)-2,4-dimethylpyrrolidin-1-amine.
What is the SMILES notation for (2R,4S)-2,4-dimethylpyrrolidin-1-amine?
The canonical SMILES for (2R,4S)-2,4-dimethylpyrrolidin-1-amine is C[C@H]1C[C@@H](C)N(N)C1.
What is the InChIKey of (2R,4S)-2,4-dimethylpyrrolidin-1-amine?
The InChIKey is GREWXAZMVATSNZ-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H14N2/c1-5-3-6(2)8(7)4-5/h5-6H,3-4,7H2,1-2H3/t5-,6+/m0/s1.
What are the key properties of (2R,4S)-2,4-dimethylpyrrolidin-1-amine?
(2R,4S)-2,4-dimethylpyrrolidin-1-amine has a molecular weight of 114.19 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2,4-dimethylpyrrolidin-1-amine is sourced from PubChem (CID 67681309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).