(2S,5S)-2-methoxy-N,5-dimethylheptan-1-amine

C10H23NO — CID 178044183

IUPAC(2S,5S)-2-methoxy-N,5-dimethylheptan-1-amine
SMILESCC[C@H](C)CC[C@@H](CNC)OC
InChIInChI=1S/C10H23NO/c1-5-9(2)6-7-10(12-4)8-11-3/h9-11H,5-8H2,1-4H3/t9-,10-/m0/s1
InChIKeyIPOHGFRGDPKOFS-UWVGGRQHSA-N
MW173.30 g/mol
LogP2.05
Rot. Bonds7

About (2S,5S)-2-methoxy-N,5-dimethylheptan-1-amine

(2S,5S)-2-methoxy-N,5-dimethylheptan-1-amine (PubChem CID 178044183) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is (2S,5S)-2-methoxy-N,5-dimethylheptan-1-amine.

Molecular Properties

Compound Name(2S,5S)-2-methoxy-N,5-dimethylheptan-1-amine
PubChem CID178044183
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name(2S,5S)-2-methoxy-N,5-dimethylheptan-1-amine
SMILESCC[C@H](C)CC[C@@H](CNC)OC
InChIInChI=1S/C10H23NO/c1-5-9(2)6-7-10(12-4)8-11-3/h9-11H,5-8H2,1-4H3/t9-,10-/m0/s1
InChIKeyIPOHGFRGDPKOFS-UWVGGRQHSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-methoxy-N'-methylpropane-1,3-diamine
CID 20763150
ethane;3,6,7,10-tetramethyldodecane
CID 143901344
(3S)-2-ethyl-N,3-dimethylpentan-1-amine
CID 163536067
O-[1-(methylamino)butan-2-yl]hydroxylamine
CID 118650526
ethane;3-methylhexane;N-methylprop-1-en-2-amine
CID 143357594
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CID 87913992

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-methoxy-N,5-dimethylheptan-1-amine?
The IUPAC name of (2S,5S)-2-methoxy-N,5-dimethylheptan-1-amine (CID 178044183) is (2S,5S)-2-methoxy-N,5-dimethylheptan-1-amine.
What is the SMILES notation for (2S,5S)-2-methoxy-N,5-dimethylheptan-1-amine?
The canonical SMILES for (2S,5S)-2-methoxy-N,5-dimethylheptan-1-amine is CC[C@H](C)CC[C@@H](CNC)OC.
What is the InChIKey of (2S,5S)-2-methoxy-N,5-dimethylheptan-1-amine?
The InChIKey is IPOHGFRGDPKOFS-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H23NO/c1-5-9(2)6-7-10(12-4)8-11-3/h9-11H,5-8H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of (2S,5S)-2-methoxy-N,5-dimethylheptan-1-amine?
(2S,5S)-2-methoxy-N,5-dimethylheptan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-methoxy-N,5-dimethylheptan-1-amine is sourced from PubChem (CID 178044183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).