[2-[cyclopropyl(cyclopropylmethyl)amino]-4-pyridinyl]methanol

C13H18N2O — CID 64521812

IUPAC[2-[cyclopropyl(cyclopropylmethyl)amino]-4-pyridinyl]methanol
SMILESOCc1ccnc(N(CC2CC2)C2CC2)c1
InChIInChI=1S/C13H18N2O/c16-9-11-5-6-14-13(7-11)15(12-3-4-12)8-10-1-2-10/h5-7,10,12,16H,1-4,8-9H2
InChIKeyUGZJPRMTVUSTPV-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.95
Rot. Bonds5

About [2-[cyclopropyl(cyclopropylmethyl)amino]-4-pyridinyl]methanol

[2-[cyclopropyl(cyclopropylmethyl)amino]-4-pyridinyl]methanol (PubChem CID 64521812) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is [2-[cyclopropyl(cyclopropylmethyl)amino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[cyclopropyl(cyclopropylmethyl)amino]-4-pyridinyl]methanol
PubChem CID64521812
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name[2-[cyclopropyl(cyclopropylmethyl)amino]-4-pyridinyl]methanol
SMILESOCc1ccnc(N(CC2CC2)C2CC2)c1
InChIInChI=1S/C13H18N2O/c16-9-11-5-6-14-13(7-11)15(12-3-4-12)8-10-1-2-10/h5-7,10,12,16H,1-4,8-9H2
InChIKeyUGZJPRMTVUSTPV-UHFFFAOYSA-N
XLogP1.95
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclopropyl(cyclopropylmethyl)amino]-4-pyridinyl]methanol?
The IUPAC name of [2-[cyclopropyl(cyclopropylmethyl)amino]-4-pyridinyl]methanol (CID 64521812) is [2-[cyclopropyl(cyclopropylmethyl)amino]-4-pyridinyl]methanol.
What is the SMILES notation for [2-[cyclopropyl(cyclopropylmethyl)amino]-4-pyridinyl]methanol?
The canonical SMILES for [2-[cyclopropyl(cyclopropylmethyl)amino]-4-pyridinyl]methanol is OCc1ccnc(N(CC2CC2)C2CC2)c1.
What is the InChIKey of [2-[cyclopropyl(cyclopropylmethyl)amino]-4-pyridinyl]methanol?
The InChIKey is UGZJPRMTVUSTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c16-9-11-5-6-14-13(7-11)15(12-3-4-12)8-10-1-2-10/h5-7,10,12,16H,1-4,8-9H2.
What are the key properties of [2-[cyclopropyl(cyclopropylmethyl)amino]-4-pyridinyl]methanol?
[2-[cyclopropyl(cyclopropylmethyl)amino]-4-pyridinyl]methanol has a molecular weight of 218.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopropyl(cyclopropylmethyl)amino]-4-pyridinyl]methanol is sourced from PubChem (CID 64521812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).