(2S)-N-[(2R)-1-methoxypropan-2-yl]nonan-2-amine

C13H29NO — CID 94840789

IUPAC(2S)-N-[(2R)-1-methoxypropan-2-yl]nonan-2-amine
SMILESCCCCCCC[C@H](C)N[C@H](C)COC
InChIInChI=1S/C13H29NO/c1-5-6-7-8-9-10-12(2)14-13(3)11-15-4/h12-14H,5-11H2,1-4H3/t12-,13+/m0/s1
InChIKeyJRIWJAJLSSDEOP-QWHCGFSZSA-N
MW215.38 g/mol
LogP3.36
Rot. Bonds10

About (2S)-N-[(2R)-1-methoxypropan-2-yl]nonan-2-amine

(2S)-N-[(2R)-1-methoxypropan-2-yl]nonan-2-amine (PubChem CID 94840789) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is (2S)-N-[(2R)-1-methoxypropan-2-yl]nonan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(2R)-1-methoxypropan-2-yl]nonan-2-amine
PubChem CID94840789
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name(2S)-N-[(2R)-1-methoxypropan-2-yl]nonan-2-amine
SMILESCCCCCCC[C@H](C)N[C@H](C)COC
InChIInChI=1S/C13H29NO/c1-5-6-7-8-9-10-12(2)14-13(3)11-15-4/h12-14H,5-11H2,1-4H3/t12-,13+/m0/s1
InChIKeyJRIWJAJLSSDEOP-QWHCGFSZSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tetradecan-2-yltetradecan-2-amine
CID 20841578
N-(1-methoxypropan-2-yl)pentan-2-amine
CID 43191929
(4S)-4-[[(2R)-1-methoxypropan-2-yl]amino]pentan-1-ol
CID 97051570
(2S)-N-butan-2-ylheptan-2-amine
CID 163467139
1-methoxy-2-methyldecane
CID 13444249
2-(nonadecan-2-ylamino)propan-1-ol
CID 3020463
1-methoxy-2,12-dimethyldocosane
CID 91752253
N-(1-methoxypropan-2-yl)nonan-1-amine
CID 43129186
(2R)-2-(heptan-2-ylamino)propan-1-ol
CID 114986918
1-methoxy-8,14,20-trimethylnonacosane
CID 155293079
1-(pentadecan-2-ylamino)ethanol
CID 90985657
N-[1-(2-methoxyethoxy)propan-2-yl]pentan-2-amine
CID 115891937

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-1-methoxypropan-2-yl]nonan-2-amine?
The IUPAC name of (2S)-N-[(2R)-1-methoxypropan-2-yl]nonan-2-amine (CID 94840789) is (2S)-N-[(2R)-1-methoxypropan-2-yl]nonan-2-amine.
What is the SMILES notation for (2S)-N-[(2R)-1-methoxypropan-2-yl]nonan-2-amine?
The canonical SMILES for (2S)-N-[(2R)-1-methoxypropan-2-yl]nonan-2-amine is CCCCCCC[C@H](C)N[C@H](C)COC.
What is the InChIKey of (2S)-N-[(2R)-1-methoxypropan-2-yl]nonan-2-amine?
The InChIKey is JRIWJAJLSSDEOP-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H29NO/c1-5-6-7-8-9-10-12(2)14-13(3)11-15-4/h12-14H,5-11H2,1-4H3/t12-,13+/m0/s1.
What are the key properties of (2S)-N-[(2R)-1-methoxypropan-2-yl]nonan-2-amine?
(2S)-N-[(2R)-1-methoxypropan-2-yl]nonan-2-amine has a molecular weight of 215.38 g/mol, XLogP of 3.36, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-1-methoxypropan-2-yl]nonan-2-amine is sourced from PubChem (CID 94840789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).