ethane;4-(methylamino)hexan-3-ol

C11H29NO — CID 142067249

IUPACethane;4-(methylamino)hexan-3-ol
SMILESCC.CC.CCC(O)C(CC)NC
InChIInChI=1S/C7H17NO.2C2H6/c1-4-6(8-3)7(9)5-2;2*1-2/h6-9H,4-5H2,1-3H3;2*1-2H3
InChIKeyUNDBQLMVRXSGHC-UHFFFAOYSA-N
MW191.36 g/mol
LogP2.81
Rot. Bonds4

About ethane;4-(methylamino)hexan-3-ol

ethane;4-(methylamino)hexan-3-ol (PubChem CID 142067249) has the molecular formula C11H29NO and a molecular weight of 191.36 g/mol. Its IUPAC name is ethane;4-(methylamino)hexan-3-ol.

Molecular Properties

Compound Nameethane;4-(methylamino)hexan-3-ol
PubChem CID142067249
Molecular FormulaC11H29NO
Molecular Weight191.36 g/mol
Exact Mass191.22
IUPAC Nameethane;4-(methylamino)hexan-3-ol
SMILESCC.CC.CCC(O)C(CC)NC
InChIInChI=1S/C7H17NO.2C2H6/c1-4-6(8-3)7(9)5-2;2*1-2/h6-9H,4-5H2,1-3H3;2*1-2H3
InChIKeyUNDBQLMVRXSGHC-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)pentane-1,3-diol;hydrobromide
CID 174751065
4-(ethylamino)hexan-3-ol
CID 130632244
3-(methylamino)-1-propan-2-ylsulfonylpentan-2-ol
CID 153362831
4-ethyl-N-methylhexan-3-amine
CID 79307570
N,4-dimethylhexan-3-amine
CID 63559808
4-(benzylamino)hexan-3-ol
CID 123502120
ethane;4-ethylhexan-3-ol
CID 142939598
(2R,3R)-3-(methylamino)hexane-1,2-diol
CID 55287871
N-(4-hydroxyhexan-3-yl)prop-2-enamide
CID 176975317
(E)-5-methyl-3-(methylamino)oct-6-en-4-ol
CID 59728821
(2R,3R,4R,5R)-1-(methylamino)heptane-2,3,4,5-tetrol
CID 158104697
(2S,3R,4S,5R)-1-(methylamino)heptane-2,3,4,5-tetrol
CID 158104696

Frequently Asked Questions

What is the IUPAC name of ethane;4-(methylamino)hexan-3-ol?
The IUPAC name of ethane;4-(methylamino)hexan-3-ol (CID 142067249) is ethane;4-(methylamino)hexan-3-ol.
What is the SMILES notation for ethane;4-(methylamino)hexan-3-ol?
The canonical SMILES for ethane;4-(methylamino)hexan-3-ol is CC.CC.CCC(O)C(CC)NC.
What is the InChIKey of ethane;4-(methylamino)hexan-3-ol?
The InChIKey is UNDBQLMVRXSGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.2C2H6/c1-4-6(8-3)7(9)5-2;2*1-2/h6-9H,4-5H2,1-3H3;2*1-2H3.
What are the key properties of ethane;4-(methylamino)hexan-3-ol?
ethane;4-(methylamino)hexan-3-ol has a molecular weight of 191.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(methylamino)hexan-3-ol is sourced from PubChem (CID 142067249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).