[3-[cyclopropylmethyl(propan-2-yl)amino]-4-pyridinyl]methanol

C13H20N2O — CID 105066798

IUPAC[3-[cyclopropylmethyl(propan-2-yl)amino]-4-pyridinyl]methanol
SMILESCC(C)N(CC1CC1)c1cnccc1CO
InChIInChI=1S/C13H20N2O/c1-10(2)15(8-11-3-4-11)13-7-14-6-5-12(13)9-16/h5-7,10-11,16H,3-4,8-9H2,1-2H3
InChIKeyAFZDPBFCRCXRFD-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.20
Rot. Bonds5

About [3-[cyclopropylmethyl(propan-2-yl)amino]-4-pyridinyl]methanol

[3-[cyclopropylmethyl(propan-2-yl)amino]-4-pyridinyl]methanol (PubChem CID 105066798) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [3-[cyclopropylmethyl(propan-2-yl)amino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[cyclopropylmethyl(propan-2-yl)amino]-4-pyridinyl]methanol
PubChem CID105066798
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[3-[cyclopropylmethyl(propan-2-yl)amino]-4-pyridinyl]methanol
SMILESCC(C)N(CC1CC1)c1cnccc1CO
InChIInChI=1S/C13H20N2O/c1-10(2)15(8-11-3-4-11)13-7-14-6-5-12(13)9-16/h5-7,10-11,16H,3-4,8-9H2,1-2H3
InChIKeyAFZDPBFCRCXRFD-UHFFFAOYSA-N
XLogP2.20
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[cyclopropylmethyl(methyl)amino]-4-pyridinyl]methanol
CID 105066737
[3-[cyclopropyl(methyl)amino]-4-pyridinyl]methanol
CID 105066695
[3-[1-cyclopropylethyl(methyl)amino]-4-pyridinyl]methanol
CID 105066721
5-N-(cyclopropylmethyl)-5-N-propan-2-ylisoquinoline-5,8-diamine
CID 55001589
[3-[methyl(2-methylpropyl)amino]-4-pyridinyl]methanol
CID 105066705
[4-[cyclopentylmethyl(methyl)amino]-3-pyridinyl]methanol
CID 81237899
[3-(diethylamino)-4-pyridinyl]methanol
CID 105066644
[3-[methyl(pentan-2-yl)amino]-4-pyridinyl]methanol
CID 105066726
N-(cyclopropylmethyl)-4-[(propan-2-ylamino)methyl]-N-propylpyridin-3-amine
CID 105073290
[3-[cyclopropyl(prop-2-enyl)amino]-4-pyridinyl]methanol
CID 105066944
[4-[benzyl(propan-2-yl)amino]-3-pyridinyl]methanol
CID 81237660
N-cyclopropyl-N-(cyclopropylmethyl)-4-(methylaminomethyl)pyridin-3-amine
CID 105074049

Frequently Asked Questions

What is the IUPAC name of [3-[cyclopropylmethyl(propan-2-yl)amino]-4-pyridinyl]methanol?
The IUPAC name of [3-[cyclopropylmethyl(propan-2-yl)amino]-4-pyridinyl]methanol (CID 105066798) is [3-[cyclopropylmethyl(propan-2-yl)amino]-4-pyridinyl]methanol.
What is the SMILES notation for [3-[cyclopropylmethyl(propan-2-yl)amino]-4-pyridinyl]methanol?
The canonical SMILES for [3-[cyclopropylmethyl(propan-2-yl)amino]-4-pyridinyl]methanol is CC(C)N(CC1CC1)c1cnccc1CO.
What is the InChIKey of [3-[cyclopropylmethyl(propan-2-yl)amino]-4-pyridinyl]methanol?
The InChIKey is AFZDPBFCRCXRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)15(8-11-3-4-11)13-7-14-6-5-12(13)9-16/h5-7,10-11,16H,3-4,8-9H2,1-2H3.
What are the key properties of [3-[cyclopropylmethyl(propan-2-yl)amino]-4-pyridinyl]methanol?
[3-[cyclopropylmethyl(propan-2-yl)amino]-4-pyridinyl]methanol has a molecular weight of 220.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[cyclopropylmethyl(propan-2-yl)amino]-4-pyridinyl]methanol is sourced from PubChem (CID 105066798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).