(3S)-N,3-dimethyl-1-propan-2-ylpyrrolidin-3-amine

C9H20N2 — CID 166707515

IUPAC(3S)-N,3-dimethyl-1-propan-2-ylpyrrolidin-3-amine
SMILESCN[C@@]1(C)CCN(C(C)C)C1
InChIInChI=1S/C9H20N2/c1-8(2)11-6-5-9(3,7-11)10-4/h8,10H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyRWDNCKIPCFDKPI-VIFPVBQESA-N
MW156.27 g/mol
LogP1.08
Rot. Bonds2

About (3S)-N,3-dimethyl-1-propan-2-ylpyrrolidin-3-amine

(3S)-N,3-dimethyl-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 166707515) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is (3S)-N,3-dimethyl-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N,3-dimethyl-1-propan-2-ylpyrrolidin-3-amine
PubChem CID166707515
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name(3S)-N,3-dimethyl-1-propan-2-ylpyrrolidin-3-amine
SMILESCN[C@@]1(C)CCN(C(C)C)C1
InChIInChI=1S/C9H20N2/c1-8(2)11-6-5-9(3,7-11)10-4/h8,10H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyRWDNCKIPCFDKPI-VIFPVBQESA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(3R)-3-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 142616980
6-propan-2-yl-1,6-diazaspiro[2.4]heptane
CID 155640500
ethane;4-methyl-1-propan-2-yl-N-propylpiperidin-4-amine
CID 170571754
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 163848476
8,8-dimethyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 134166256
1-(1-methoxy-3-methylbutan-2-yl)-N,4-dimethylpiperidin-4-amine
CID 115304094
N,N-dimethyl-2-[4-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 115304877
3-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine
CID 135165727
3-(fluoromethyl)-3-methyl-1-propan-2-ylpyrrolidine
CID 167200051
(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol
CID 83914161
1-(1-cyclopropyl-4-methylpentyl)-N,4-dimethylpiperidin-4-amine
CID 114276068
N-cyclopropyl-2-[4-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 115305216

Frequently Asked Questions

What is the IUPAC name of (3S)-N,3-dimethyl-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (3S)-N,3-dimethyl-1-propan-2-ylpyrrolidin-3-amine (CID 166707515) is (3S)-N,3-dimethyl-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-N,3-dimethyl-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3S)-N,3-dimethyl-1-propan-2-ylpyrrolidin-3-amine is CN[C@@]1(C)CCN(C(C)C)C1.
What is the InChIKey of (3S)-N,3-dimethyl-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is RWDNCKIPCFDKPI-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20N2/c1-8(2)11-6-5-9(3,7-11)10-4/h8,10H,5-7H2,1-4H3/t9-/m0/s1.
What are the key properties of (3S)-N,3-dimethyl-1-propan-2-ylpyrrolidin-3-amine?
(3S)-N,3-dimethyl-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 156.27 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,3-dimethyl-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 166707515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).