(2S)-3-methyl-N-propan-2-yl-1-pyrrolidin-1-ylbutan-2-amine

C12H26N2 — CID 54557324

IUPAC(2S)-3-methyl-N-propan-2-yl-1-pyrrolidin-1-ylbutan-2-amine
SMILESCC(C)N[C@H](CN1CCCC1)C(C)C
InChIInChI=1S/C12H26N2/c1-10(2)12(13-11(3)4)9-14-7-5-6-8-14/h10-13H,5-9H2,1-4H3/t12-/m1/s1
InChIKeyZOBYBEIOJZFADC-GFCCVEGCSA-N
MW198.35 g/mol
LogP2.10
Rot. Bonds5

About (2S)-3-methyl-N-propan-2-yl-1-pyrrolidin-1-ylbutan-2-amine

(2S)-3-methyl-N-propan-2-yl-1-pyrrolidin-1-ylbutan-2-amine (PubChem CID 54557324) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is (2S)-3-methyl-N-propan-2-yl-1-pyrrolidin-1-ylbutan-2-amine.

Molecular Properties

Compound Name(2S)-3-methyl-N-propan-2-yl-1-pyrrolidin-1-ylbutan-2-amine
PubChem CID54557324
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name(2S)-3-methyl-N-propan-2-yl-1-pyrrolidin-1-ylbutan-2-amine
SMILESCC(C)N[C@H](CN1CCCC1)C(C)C
InChIInChI=1S/C12H26N2/c1-10(2)12(13-11(3)4)9-14-7-5-6-8-14/h10-13H,5-9H2,1-4H3/t12-/m1/s1
InChIKeyZOBYBEIOJZFADC-GFCCVEGCSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 167386314
2-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 167386473
(2S)-3-methyl-N-prop-2-enyl-1-pyrrolidin-1-ylbutan-2-amine;dihydrochloride
CID 44890923
N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide
CID 167034979
1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
azane;1-(2-methylpropyl)pyrrolidine
CID 122583370
4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pentan-2-amine
CID 61471885
1-(2-chloropropyl)pyrrolidine
CID 3020097
(2S)-N-phosphanyl-1-pyrrolidin-1-ylpropan-2-amine
CID 143859597
3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-4-methylpentan-1-ol
CID 104891959
5-methyl-N-(1-piperidin-1-ylpropan-2-yl)hexan-2-amine
CID 43749079
N-(1-pyrrolidin-1-ylpropan-2-yl)but-3-en-2-amine
CID 107906758

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-N-propan-2-yl-1-pyrrolidin-1-ylbutan-2-amine?
The IUPAC name of (2S)-3-methyl-N-propan-2-yl-1-pyrrolidin-1-ylbutan-2-amine (CID 54557324) is (2S)-3-methyl-N-propan-2-yl-1-pyrrolidin-1-ylbutan-2-amine.
What is the SMILES notation for (2S)-3-methyl-N-propan-2-yl-1-pyrrolidin-1-ylbutan-2-amine?
The canonical SMILES for (2S)-3-methyl-N-propan-2-yl-1-pyrrolidin-1-ylbutan-2-amine is CC(C)N[C@H](CN1CCCC1)C(C)C.
What is the InChIKey of (2S)-3-methyl-N-propan-2-yl-1-pyrrolidin-1-ylbutan-2-amine?
The InChIKey is ZOBYBEIOJZFADC-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)12(13-11(3)4)9-14-7-5-6-8-14/h10-13H,5-9H2,1-4H3/t12-/m1/s1.
What are the key properties of (2S)-3-methyl-N-propan-2-yl-1-pyrrolidin-1-ylbutan-2-amine?
(2S)-3-methyl-N-propan-2-yl-1-pyrrolidin-1-ylbutan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-N-propan-2-yl-1-pyrrolidin-1-ylbutan-2-amine is sourced from PubChem (CID 54557324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).