3-cyclopropyl-3-(pyridin-4-ylmethylamino)propan-1-ol

C12H18N2O — CID 111457420

IUPAC3-cyclopropyl-3-(pyridin-4-ylmethylamino)propan-1-ol
SMILESOCCC(NCc1ccncc1)C1CC1
InChIInChI=1S/C12H18N2O/c15-8-5-12(11-1-2-11)14-9-10-3-6-13-7-4-10/h3-4,6-7,11-12,14-15H,1-2,5,8-9H2
InChIKeyVCGMONQAIMYCEF-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.33
Rot. Bonds6

About 3-cyclopropyl-3-(pyridin-4-ylmethylamino)propan-1-ol

3-cyclopropyl-3-(pyridin-4-ylmethylamino)propan-1-ol (PubChem CID 111457420) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-cyclopropyl-3-(pyridin-4-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-3-(pyridin-4-ylmethylamino)propan-1-ol
PubChem CID111457420
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-cyclopropyl-3-(pyridin-4-ylmethylamino)propan-1-ol
SMILESOCCC(NCc1ccncc1)C1CC1
InChIInChI=1S/C12H18N2O/c15-8-5-12(11-1-2-11)14-9-10-3-6-13-7-4-10/h3-4,6-7,11-12,14-15H,1-2,5,8-9H2
InChIKeyVCGMONQAIMYCEF-UHFFFAOYSA-N
XLogP1.33
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 111457473
3-cyclopropyl-3-[(4-nitrophenyl)methylamino]propan-1-ol
CID 111457534
ethyl 3-cyclopropyl-3-(pyridin-4-ylmethylamino)propanoate
CID 134162113
3-cyclopropyl-3-(thiophen-2-ylmethylamino)propan-1-ol
CID 115646628
3-cyclopropyl-3-[(2-ethylpyrazol-3-yl)methylamino]propan-1-ol
CID 115762505
3-cyclopropyl-3-[(2-fluorophenyl)methylamino]propan-1-ol
CID 111457458
3-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-1-ol
CID 141284210
3-cyclopropyl-3-[(4-methoxy-3-methylsulfanylphenyl)methylamino]propan-1-ol
CID 111457428
1-cyclopropyl-N-ethyl-2-pyridin-4-ylethanamine
CID 63355352
3-cyclopropyl-3-[(2-methoxyphenyl)methylamino]propan-1-ol
CID 111457432
3-[(4-bromothiophen-2-yl)methylamino]-3-cyclopropylpropan-1-ol
CID 115646629
2-[[cyclopropyl(pyridin-4-yl)methyl]amino]ethanol
CID 121230237

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(pyridin-4-ylmethylamino)propan-1-ol?
The IUPAC name of 3-cyclopropyl-3-(pyridin-4-ylmethylamino)propan-1-ol (CID 111457420) is 3-cyclopropyl-3-(pyridin-4-ylmethylamino)propan-1-ol.
What is the SMILES notation for 3-cyclopropyl-3-(pyridin-4-ylmethylamino)propan-1-ol?
The canonical SMILES for 3-cyclopropyl-3-(pyridin-4-ylmethylamino)propan-1-ol is OCCC(NCc1ccncc1)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-(pyridin-4-ylmethylamino)propan-1-ol?
The InChIKey is VCGMONQAIMYCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c15-8-5-12(11-1-2-11)14-9-10-3-6-13-7-4-10/h3-4,6-7,11-12,14-15H,1-2,5,8-9H2.
What are the key properties of 3-cyclopropyl-3-(pyridin-4-ylmethylamino)propan-1-ol?
3-cyclopropyl-3-(pyridin-4-ylmethylamino)propan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(pyridin-4-ylmethylamino)propan-1-ol is sourced from PubChem (CID 111457420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).