[2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclohexyl]methanol

C16H27N3O — CID 104535105

IUPAC[2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclohexyl]methanol
SMILESCCCNc1cncc(NCC2CCCCC2CO)c1
InChIInChI=1S/C16H27N3O/c1-2-7-18-15-8-16(11-17-10-15)19-9-13-5-3-4-6-14(13)12-20/h8,10-11,13-14,18-20H,2-7,9,12H2,1H3
InChIKeyMFYCJZONUZVRBW-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.11
Rot. Bonds7

About [2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclohexyl]methanol

[2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclohexyl]methanol (PubChem CID 104535105) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is [2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclohexyl]methanol
PubChem CID104535105
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name[2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclohexyl]methanol
SMILESCCCNc1cncc(NCC2CCCCC2CO)c1
InChIInChI=1S/C16H27N3O/c1-2-7-18-15-8-16(11-17-10-15)19-9-13-5-3-4-6-14(13)12-20/h8,10-11,13-14,18-20H,2-7,9,12H2,1H3
InChIKeyMFYCJZONUZVRBW-UHFFFAOYSA-N
XLogP3.11
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclopentyl]methanol
CID 104535101
5-N-(2-ethylcyclohexyl)-3-N-propylpyridine-3,5-diamine
CID 104533440
[2-[[4-(ethylamino)anilino]methyl]cyclohexyl]methanol
CID 83962394
[2-[(3,4-dimethylanilino)methyl]cyclohexyl]methanol
CID 83961364
5-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-N-propylpyridine-3,5-diamine
CID 104534597
5-N-[(1,1-dioxothiolan-3-yl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104534160
5-N-(2,6-dimethylpiperidin-1-yl)-3-N-propylpyridine-3,5-diamine
CID 104535636
5-cyclohexyloxy-N-propylpyridin-3-amine
CID 104536075
5-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104533114
2-[cyclopentyl-[5-(propylamino)-3-pyridinyl]amino]acetamide
CID 104533712
5-N-(1-cyclopropylethyl)-3-N-propylpyridine-3,5-diamine
CID 104532953
2-[[(5-bromo-3-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 115657758

Frequently Asked Questions

What is the IUPAC name of [2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclohexyl]methanol?
The IUPAC name of [2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclohexyl]methanol (CID 104535105) is [2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclohexyl]methanol is CCCNc1cncc(NCC2CCCCC2CO)c1.
What is the InChIKey of [2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclohexyl]methanol?
The InChIKey is MFYCJZONUZVRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-2-7-18-15-8-16(11-17-10-15)19-9-13-5-3-4-6-14(13)12-20/h8,10-11,13-14,18-20H,2-7,9,12H2,1H3.
What are the key properties of [2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclohexyl]methanol?
[2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclohexyl]methanol has a molecular weight of 277.41 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 104535105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).