(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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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).