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

C15H25N3O — CID 104535101

IUPAC[2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclopentyl]methanol
SMILESCCCNc1cncc(NCC2CCCC2CO)c1
InChIInChI=1S/C15H25N3O/c1-2-6-17-14-7-15(10-16-9-14)18-8-12-4-3-5-13(12)11-19/h7,9-10,12-13,17-19H,2-6,8,11H2,1H3
InChIKeyHHAQPNNDOPXQDJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.72
Rot. Bonds7

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

[2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclopentyl]methanol (PubChem CID 104535101) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is [2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclopentyl]methanol
PubChem CID104535101
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name[2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclopentyl]methanol
SMILESCCCNc1cncc(NCC2CCCC2CO)c1
InChIInChI=1S/C15H25N3O/c1-2-6-17-14-7-15(10-16-9-14)18-8-12-4-3-5-13(12)11-19/h7,9-10,12-13,17-19H,2-6,8,11H2,1H3
InChIKeyHHAQPNNDOPXQDJ-UHFFFAOYSA-N
XLogP2.72
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclohexyl]methanol
CID 104535105
5-N-(2-ethylcyclohexyl)-3-N-propylpyridine-3,5-diamine
CID 104533440
5-N-(2,6-dimethylpiperidin-1-yl)-3-N-propylpyridine-3,5-diamine
CID 104535636
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
[2-[[4-(ethylamino)anilino]methyl]cyclohexyl]methanol
CID 83962394
2-[[(5-amino-3-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 104535099
[2-[(3,4-dimethylanilino)methyl]cyclohexyl]methanol
CID 83961364
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

Frequently Asked Questions

What is the IUPAC name of [2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclopentyl]methanol?
The IUPAC name of [2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclopentyl]methanol (CID 104535101) is [2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclopentyl]methanol is CCCNc1cncc(NCC2CCCC2CO)c1.
What is the InChIKey of [2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclopentyl]methanol?
The InChIKey is HHAQPNNDOPXQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-6-17-14-7-15(10-16-9-14)18-8-12-4-3-5-13(12)11-19/h7,9-10,12-13,17-19H,2-6,8,11H2,1H3.
What are the key properties of [2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclopentyl]methanol?
[2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclopentyl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.72, 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]cyclopentyl]methanol is sourced from PubChem (CID 104535101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).