2-amino-2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-ol

C12H25N3O — CID 64791303

IUPAC2-amino-2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-ol
SMILESCN(C)C1CCN(CC(N)(CO)C2CC2)C1
InChIInChI=1S/C12H25N3O/c1-14(2)11-5-6-15(7-11)8-12(13,9-16)10-3-4-10/h10-11,16H,3-9,13H2,1-2H3
InChIKeyVVVPIBDPKWHPLP-UHFFFAOYSA-N
MW227.35 g/mol
LogP-0.28
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-ol

2-amino-2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-ol (PubChem CID 64791303) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-ol
PubChem CID64791303
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-amino-2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-ol
SMILESCN(C)C1CCN(CC(N)(CO)C2CC2)C1
InChIInChI=1S/C12H25N3O/c1-14(2)11-5-6-15(7-11)8-12(13,9-16)10-3-4-10/h10-11,16H,3-9,13H2,1-2H3
InChIKeyVVVPIBDPKWHPLP-UHFFFAOYSA-N
XLogP-0.28
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropanamide
CID 63165428
2-amino-2-cyclopropyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-ol
CID 64810845
2-amino-2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-ol
CID 103540837
2-amino-2-cyclopropyl-3-(4,4-diethylpiperidin-1-yl)propan-1-ol
CID 64791296
2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propan-1-ol
CID 64827605
2-amino-2-cyclopropyl-3-(4-ethoxypiperidin-1-yl)propan-1-ol
CID 64827068
2-amino-2-cyclopropylbutan-1-ol
CID 64919158
2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)propanoic acid
CID 63927035
N,N-dimethyl-1-[(trimethyl-λ4-sulfanyl)methyl]pyrrolidin-3-amine
CID 139527503
1-amino-2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol
CID 64821112
2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropanamide
CID 63165424
2-amino-2-cyclopropyl-3-(4-phenylpiperazin-1-yl)propan-1-ol
CID 64792159

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-ol?
The IUPAC name of 2-amino-2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-ol (CID 64791303) is 2-amino-2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-ol.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-ol?
The canonical SMILES for 2-amino-2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-ol is CN(C)C1CCN(CC(N)(CO)C2CC2)C1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-ol?
The InChIKey is VVVPIBDPKWHPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-14(2)11-5-6-15(7-11)8-12(13,9-16)10-3-4-10/h10-11,16H,3-9,13H2,1-2H3.
What are the key properties of 2-amino-2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-ol?
2-amino-2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-ol has a molecular weight of 227.35 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-ol is sourced from PubChem (CID 64791303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).