3-[[(6-amino-3-pyridinyl)amino]methyl]hexan-1-ol

C12H21N3O — CID 106113661

IUPAC3-[[(6-amino-3-pyridinyl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1ccc(N)nc1
InChIInChI=1S/C12H21N3O/c1-2-3-10(6-7-16)8-14-11-4-5-12(13)15-9-11/h4-5,9-10,14,16H,2-3,6-8H2,1H3,(H2,13,15)
InChIKeySKNNZTZZINBGBK-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.87
Rot. Bonds7

About 3-[[(6-amino-3-pyridinyl)amino]methyl]hexan-1-ol

3-[[(6-amino-3-pyridinyl)amino]methyl]hexan-1-ol (PubChem CID 106113661) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[[(6-amino-3-pyridinyl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(6-amino-3-pyridinyl)amino]methyl]hexan-1-ol
PubChem CID106113661
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-[[(6-amino-3-pyridinyl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1ccc(N)nc1
InChIInChI=1S/C12H21N3O/c1-2-3-10(6-7-16)8-14-11-4-5-12(13)15-9-11/h4-5,9-10,14,16H,2-3,6-8H2,1H3,(H2,13,15)
InChIKeySKNNZTZZINBGBK-UHFFFAOYSA-N
XLogP1.87
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-amino-3-methylanilino)methyl]hexan-1-ol
CID 114145208
3-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106113783
3-[(6-amino-3-pyridinyl)amino]-4-methylpentan-1-ol
CID 106348304
3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106113765
N-(2-ethylpentyl)-4-fluoroaniline
CID 102338338
5-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2,5-diamine
CID 63982053
N-(6-amino-3-pyridinyl)-2-methylpentanamide
CID 62899385
3-[[(3-ethoxy-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106115743
4-[2-(2-hydroxyethyl)pentylamino]-2-methylbenzoic acid
CID 106115605
3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol
CID 103705117
2-[(6-amino-3-pyridinyl)amino]propan-1-ol
CID 43498943
3-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]hexan-1-ol
CID 106113747

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-amino-3-pyridinyl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(6-amino-3-pyridinyl)amino]methyl]hexan-1-ol (CID 106113661) is 3-[[(6-amino-3-pyridinyl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(6-amino-3-pyridinyl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(6-amino-3-pyridinyl)amino]methyl]hexan-1-ol is CCCC(CCO)CNc1ccc(N)nc1.
What is the InChIKey of 3-[[(6-amino-3-pyridinyl)amino]methyl]hexan-1-ol?
The InChIKey is SKNNZTZZINBGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-3-10(6-7-16)8-14-11-4-5-12(13)15-9-11/h4-5,9-10,14,16H,2-3,6-8H2,1H3,(H2,13,15).
What are the key properties of 3-[[(6-amino-3-pyridinyl)amino]methyl]hexan-1-ol?
3-[[(6-amino-3-pyridinyl)amino]methyl]hexan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-amino-3-pyridinyl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 106113661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).