3-(aminomethyl)-6-[methyl(propan-2-yl)amino]hexan-3-ol

C11H26N2O — CID 106811374

IUPAC3-(aminomethyl)-6-[methyl(propan-2-yl)amino]hexan-3-ol
SMILESCCC(O)(CN)CCCN(C)C(C)C
InChIInChI=1S/C11H26N2O/c1-5-11(14,9-12)7-6-8-13(4)10(2)3/h10,14H,5-9,12H2,1-4H3
InChIKeyPHLSDJQCHOWGDE-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.21
Rot. Bonds7

About 3-(aminomethyl)-6-[methyl(propan-2-yl)amino]hexan-3-ol

3-(aminomethyl)-6-[methyl(propan-2-yl)amino]hexan-3-ol (PubChem CID 106811374) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-(aminomethyl)-6-[methyl(propan-2-yl)amino]hexan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-6-[methyl(propan-2-yl)amino]hexan-3-ol
PubChem CID106811374
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name3-(aminomethyl)-6-[methyl(propan-2-yl)amino]hexan-3-ol
SMILESCCC(O)(CN)CCCN(C)C(C)C
InChIInChI=1S/C11H26N2O/c1-5-11(14,9-12)7-6-8-13(4)10(2)3/h10,14H,5-9,12H2,1-4H3
InChIKeyPHLSDJQCHOWGDE-UHFFFAOYSA-N
XLogP1.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-6-[2-methoxyethyl(methyl)amino]hexan-3-ol
CID 106811269
3-(aminomethyl)-6-[2,2-dimethylpropyl(methyl)amino]hexan-3-ol
CID 106811265
3-(aminomethyl)-6-[ethyl(2-methylbutyl)amino]hexan-3-ol
CID 106811400
3-(aminomethyl)-6-[ethyl(2-methoxyethyl)amino]hexan-3-ol
CID 106811257
3-(aminomethyl)-6-methoxyhexan-3-ol
CID 114852603
3-(aminomethyl)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-3-ol
CID 106811572
3-(aminomethyl)-6-[cyclopropyl(ethyl)amino]hexan-3-ol
CID 106811212
1-amino-2-methyl-5-[methyl(pentan-3-yl)amino]pentan-2-ol
CID 64819989
3-(aminomethyl)-6-(2-methylpropylsulfanyl)hexan-3-ol
CID 106811645
N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 16748474
3-(aminomethyl)-6-[cyclohexyl(ethyl)amino]hexan-3-ol
CID 106811363
3-(aminomethyl)-6-(2-methylbutylsulfanyl)hexan-3-ol
CID 107764964

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-[methyl(propan-2-yl)amino]hexan-3-ol?
The IUPAC name of 3-(aminomethyl)-6-[methyl(propan-2-yl)amino]hexan-3-ol (CID 106811374) is 3-(aminomethyl)-6-[methyl(propan-2-yl)amino]hexan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-6-[methyl(propan-2-yl)amino]hexan-3-ol?
The canonical SMILES for 3-(aminomethyl)-6-[methyl(propan-2-yl)amino]hexan-3-ol is CCC(O)(CN)CCCN(C)C(C)C.
What is the InChIKey of 3-(aminomethyl)-6-[methyl(propan-2-yl)amino]hexan-3-ol?
The InChIKey is PHLSDJQCHOWGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-5-11(14,9-12)7-6-8-13(4)10(2)3/h10,14H,5-9,12H2,1-4H3.
What are the key properties of 3-(aminomethyl)-6-[methyl(propan-2-yl)amino]hexan-3-ol?
3-(aminomethyl)-6-[methyl(propan-2-yl)amino]hexan-3-ol has a molecular weight of 202.34 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-[methyl(propan-2-yl)amino]hexan-3-ol is sourced from PubChem (CID 106811374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).