(2S)-6-amino-2-(methylamino)hexan-1-ol

C7H18N2O — CID 59831454

IUPAC(2S)-6-amino-2-(methylamino)hexan-1-ol
SMILESCN[C@H](CO)CCCCN
InChIInChI=1S/C7H18N2O/c1-9-7(6-10)4-2-3-5-8/h7,9-10H,2-6,8H2,1H3/t7-/m0/s1
InChIKeyOPZVWSHAAATLSK-ZETCQYMHSA-N
MW146.23 g/mol
LogP-0.30
Rot. Bonds6

About (2S)-6-amino-2-(methylamino)hexan-1-ol

(2S)-6-amino-2-(methylamino)hexan-1-ol (PubChem CID 59831454) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is (2S)-6-amino-2-(methylamino)hexan-1-ol.

Molecular Properties

Compound Name(2S)-6-amino-2-(methylamino)hexan-1-ol
PubChem CID59831454
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name(2S)-6-amino-2-(methylamino)hexan-1-ol
SMILESCN[C@H](CO)CCCCN
InChIInChI=1S/C7H18N2O/c1-9-7(6-10)4-2-3-5-8/h7,9-10H,2-6,8H2,1H3/t7-/m0/s1
InChIKeyOPZVWSHAAATLSK-ZETCQYMHSA-N
XLogP-0.30
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)hexadecan-1-ol
CID 118696061
6-amino-2-bromohexan-1-ol
CID 110189651
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol
CID 104567852
azane;hydrogen peroxide;methane;5-(methylamino)heptanal;5-N-methylheptane-1,5-diamine;molecular oxygen;hydrate
CID 160716781
36-methylheptatriacontan-1-amine
CID 134324173
7-amino-3-(methylamino)heptan-2-one;ethane
CID 153401274
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
CID 171042672
CID 171042672
(2S)-2,6-diaminohexan-1-ol;propane-1,2-diol
CID 172771084
3-(methylamino)nonan-1-ol
CID 65235222
2,6-diaminohexanoic acid;(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol
CID 87370763
18-methylnonadecan-1-amine;hydrochloride
CID 173047380

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(methylamino)hexan-1-ol?
The IUPAC name of (2S)-6-amino-2-(methylamino)hexan-1-ol (CID 59831454) is (2S)-6-amino-2-(methylamino)hexan-1-ol.
What is the SMILES notation for (2S)-6-amino-2-(methylamino)hexan-1-ol?
The canonical SMILES for (2S)-6-amino-2-(methylamino)hexan-1-ol is CN[C@H](CO)CCCCN.
What is the InChIKey of (2S)-6-amino-2-(methylamino)hexan-1-ol?
The InChIKey is OPZVWSHAAATLSK-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H18N2O/c1-9-7(6-10)4-2-3-5-8/h7,9-10H,2-6,8H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-6-amino-2-(methylamino)hexan-1-ol?
(2S)-6-amino-2-(methylamino)hexan-1-ol has a molecular weight of 146.23 g/mol, XLogP of -0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(methylamino)hexan-1-ol is sourced from PubChem (CID 59831454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).