N-[2-[(3S)-pyrrolidin-3-yl]ethyl]propan-2-amine;hydrochloride

C9H21ClN2 — CID 71637413

IUPACN-[2-[(3S)-pyrrolidin-3-yl]ethyl]propan-2-amine;hydrochloride
SMILESCC(C)NCC[C@@H]1CCNC1.Cl
InChIInChI=1S/C9H20N2.ClH/c1-8(2)11-6-4-9-3-5-10-7-9;/h8-11H,3-7H2,1-2H3;1H/t9-;/m0./s1
InChIKeyIXINLCREWATPMD-FVGYRXGTSA-N
MW192.73 g/mol
LogP1.41
Rot. Bonds4

About N-[2-[(3S)-pyrrolidin-3-yl]ethyl]propan-2-amine;hydrochloride

N-[2-[(3S)-pyrrolidin-3-yl]ethyl]propan-2-amine;hydrochloride (PubChem CID 71637413) has the molecular formula C9H21ClN2 and a molecular weight of 192.73 g/mol. Its IUPAC name is N-[2-[(3S)-pyrrolidin-3-yl]ethyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-[(3S)-pyrrolidin-3-yl]ethyl]propan-2-amine;hydrochloride
PubChem CID71637413
Molecular FormulaC9H21ClN2
Molecular Weight192.73 g/mol
Exact Mass192.14
IUPAC NameN-[2-[(3S)-pyrrolidin-3-yl]ethyl]propan-2-amine;hydrochloride
SMILESCC(C)NCC[C@@H]1CCNC1.Cl
InChIInChI=1S/C9H20N2.ClH/c1-8(2)11-6-4-9-3-5-10-7-9;/h8-11H,3-7H2,1-2H3;1H/t9-;/m0./s1
InChIKeyIXINLCREWATPMD-FVGYRXGTSA-N
XLogP1.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.73
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-pyrrolidin-3-ylethyl)propane-2-sulfonamide
CID 63624529
4-methyl-N-(2-pyrrolidin-3-ylethyl)pentan-1-amine
CID 115210839
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119534841
N-[2-[(3S)-pyrrolidin-3-yl]ethyl]cyclopropanamine
CID 71636554
N-(2-cyclopentylethyl)propan-2-amine;molecular hydrogen
CID 165122655
4-pyrrolidin-3-ylbutan-2-ol
CID 82417870
2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555477
1-(5-ethyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)ethanamine
CID 113387356
5-methyl-N-(3-pyrrolidin-3-ylpropyl)hexan-1-amine
CID 115326036
2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 63624155
N-[4-oxo-4-(2-pyrrolidin-3-ylethylamino)butan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119534348

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-pyrrolidin-3-yl]ethyl]propan-2-amine;hydrochloride?
The IUPAC name of N-[2-[(3S)-pyrrolidin-3-yl]ethyl]propan-2-amine;hydrochloride (CID 71637413) is N-[2-[(3S)-pyrrolidin-3-yl]ethyl]propan-2-amine;hydrochloride.
What is the SMILES notation for N-[2-[(3S)-pyrrolidin-3-yl]ethyl]propan-2-amine;hydrochloride?
The canonical SMILES for N-[2-[(3S)-pyrrolidin-3-yl]ethyl]propan-2-amine;hydrochloride is CC(C)NCC[C@@H]1CCNC1.Cl.
What is the InChIKey of N-[2-[(3S)-pyrrolidin-3-yl]ethyl]propan-2-amine;hydrochloride?
The InChIKey is IXINLCREWATPMD-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H20N2.ClH/c1-8(2)11-6-4-9-3-5-10-7-9;/h8-11H,3-7H2,1-2H3;1H/t9-;/m0./s1.
What are the key properties of N-[2-[(3S)-pyrrolidin-3-yl]ethyl]propan-2-amine;hydrochloride?
N-[2-[(3S)-pyrrolidin-3-yl]ethyl]propan-2-amine;hydrochloride has a molecular weight of 192.73 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-pyrrolidin-3-yl]ethyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 71637413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).