[1-[[(5-tert-butyl-2-pyridinyl)amino]methyl]cyclopropyl]methanol

C14H22N2O — CID 107874814

IUPAC[1-[[(5-tert-butyl-2-pyridinyl)amino]methyl]cyclopropyl]methanol
SMILESCC(C)(C)c1ccc(NCC2(CO)CC2)nc1
InChIInChI=1S/C14H22N2O/c1-13(2,3)11-4-5-12(15-8-11)16-9-14(10-17)6-7-14/h4-5,8,17H,6-7,9-10H2,1-3H3,(H,15,16)
InChIKeyNKEHNUMWCDIEAM-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.56
Rot. Bonds4

About [1-[[(5-tert-butyl-2-pyridinyl)amino]methyl]cyclopropyl]methanol

[1-[[(5-tert-butyl-2-pyridinyl)amino]methyl]cyclopropyl]methanol (PubChem CID 107874814) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [1-[[(5-tert-butyl-2-pyridinyl)amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(5-tert-butyl-2-pyridinyl)amino]methyl]cyclopropyl]methanol
PubChem CID107874814
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[1-[[(5-tert-butyl-2-pyridinyl)amino]methyl]cyclopropyl]methanol
SMILESCC(C)(C)c1ccc(NCC2(CO)CC2)nc1
InChIInChI=1S/C14H22N2O/c1-13(2,3)11-4-5-12(15-8-11)16-9-14(10-17)6-7-14/h4-5,8,17H,6-7,9-10H2,1-3H3,(H,15,16)
InChIKeyNKEHNUMWCDIEAM-UHFFFAOYSA-N
XLogP2.56
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclopentyl]methyl]-5-tert-butylpyridin-2-amine
CID 107875696
[1-[[(6-methylpyridazin-3-yl)amino]methyl]cyclopropyl]methanol
CID 115455152
5-tert-butyl-N-[(2-methyloxolan-2-yl)methyl]pyridin-2-amine
CID 114011595
[1-[[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]methyl]cyclopropyl]methanol
CID 115454120
5-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid
CID 115455525
[1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclopropyl]methanol
CID 79478877
2-[(5-tert-butyl-2-pyridinyl)amino]-2-phenylpropan-1-ol
CID 107874941
N-[(1-ethylcyclopropyl)methyl]-5-methylpyridin-2-amine
CID 103736819
3-[[(5-tert-butyl-2-pyridinyl)amino]methyl]pentan-3-ol
CID 107874744
[1-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 115457191
[2-[[(5-tert-butyl-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 107874762
2-[1-[[(5-amino-2-pyridinyl)amino]methyl]cyclopropyl]ethanol
CID 114755814

Frequently Asked Questions

What is the IUPAC name of [1-[[(5-tert-butyl-2-pyridinyl)amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(5-tert-butyl-2-pyridinyl)amino]methyl]cyclopropyl]methanol (CID 107874814) is [1-[[(5-tert-butyl-2-pyridinyl)amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(5-tert-butyl-2-pyridinyl)amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(5-tert-butyl-2-pyridinyl)amino]methyl]cyclopropyl]methanol is CC(C)(C)c1ccc(NCC2(CO)CC2)nc1.
What is the InChIKey of [1-[[(5-tert-butyl-2-pyridinyl)amino]methyl]cyclopropyl]methanol?
The InChIKey is NKEHNUMWCDIEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-13(2,3)11-4-5-12(15-8-11)16-9-14(10-17)6-7-14/h4-5,8,17H,6-7,9-10H2,1-3H3,(H,15,16).
What are the key properties of [1-[[(5-tert-butyl-2-pyridinyl)amino]methyl]cyclopropyl]methanol?
[1-[[(5-tert-butyl-2-pyridinyl)amino]methyl]cyclopropyl]methanol has a molecular weight of 234.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(5-tert-butyl-2-pyridinyl)amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 107874814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).