(4S)-2,6-dimethyl-4-(methylamino)heptan-3-ol

C10H23NO — CID 118053388

IUPAC(4S)-2,6-dimethyl-4-(methylamino)heptan-3-ol
SMILESCN[C@@H](CC(C)C)C(O)C(C)C
InChIInChI=1S/C10H23NO/c1-7(2)6-9(11-5)10(12)8(3)4/h7-12H,6H2,1-5H3/t9-,10?/m0/s1
InChIKeyLBAKLRRHPOZPIR-RGURZIINSA-N
MW173.30 g/mol
LogP1.64
Rot. Bonds5

About (4S)-2,6-dimethyl-4-(methylamino)heptan-3-ol

(4S)-2,6-dimethyl-4-(methylamino)heptan-3-ol (PubChem CID 118053388) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is (4S)-2,6-dimethyl-4-(methylamino)heptan-3-ol.

Molecular Properties

Compound Name(4S)-2,6-dimethyl-4-(methylamino)heptan-3-ol
PubChem CID118053388
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name(4S)-2,6-dimethyl-4-(methylamino)heptan-3-ol
SMILESCN[C@@H](CC(C)C)C(O)C(C)C
InChIInChI=1S/C10H23NO/c1-7(2)6-9(11-5)10(12)8(3)4/h7-12H,6H2,1-5H3/t9-,10?/m0/s1
InChIKeyLBAKLRRHPOZPIR-RGURZIINSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 58233630
3-methyl-1-(methylamino)butane-1,2-diol
CID 20675823
2-[[(3S)-2-hydroxy-5-methyl-3-(methylamino)hexanoyl]amino]acetic acid
CID 58605317
N'-(2,5-dimethylhexan-3-yl)-N-methylmethanediamine
CID 156820952
(2R)-3-methyl-2-(methylamino)butan-1-ol
CID 12695789
N,5-dimethyl-2-pyridin-4-ylhexan-3-amine
CID 66447939
2-aminoethanol;1-methoxy-4-methyl-2-(methylamino)pentan-3-ol;4-methyl-2-(methylamino)pentane-1,3-diol
CID 142545394
2,8-dimethyl-4-propan-2-ylnonane-3,5,6-triol
CID 58455255
(2S,3R)-2-(methylamino)butane-1,3-diol
CID 59886106
(3R)-N-ethyl-2,5-dimethylhexan-3-amine
CID 59084835
(4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol
CID 10512329
(2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylamino)hexanamide
CID 142265085

Frequently Asked Questions

What is the IUPAC name of (4S)-2,6-dimethyl-4-(methylamino)heptan-3-ol?
The IUPAC name of (4S)-2,6-dimethyl-4-(methylamino)heptan-3-ol (CID 118053388) is (4S)-2,6-dimethyl-4-(methylamino)heptan-3-ol.
What is the SMILES notation for (4S)-2,6-dimethyl-4-(methylamino)heptan-3-ol?
The canonical SMILES for (4S)-2,6-dimethyl-4-(methylamino)heptan-3-ol is CN[C@@H](CC(C)C)C(O)C(C)C.
What is the InChIKey of (4S)-2,6-dimethyl-4-(methylamino)heptan-3-ol?
The InChIKey is LBAKLRRHPOZPIR-RGURZIINSA-N. The full InChI is InChI=1S/C10H23NO/c1-7(2)6-9(11-5)10(12)8(3)4/h7-12H,6H2,1-5H3/t9-,10?/m0/s1.
What are the key properties of (4S)-2,6-dimethyl-4-(methylamino)heptan-3-ol?
(4S)-2,6-dimethyl-4-(methylamino)heptan-3-ol has a molecular weight of 173.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,6-dimethyl-4-(methylamino)heptan-3-ol is sourced from PubChem (CID 118053388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).