(2S)-3-methyl-2-(nonan-2-ylamino)butan-1-ol

C14H31NO — CID 79253877

IUPAC(2S)-3-methyl-2-(nonan-2-ylamino)butan-1-ol
SMILESCCCCCCCC(C)N[C@H](CO)C(C)C
InChIInChI=1S/C14H31NO/c1-5-6-7-8-9-10-13(4)15-14(11-16)12(2)3/h12-16H,5-11H2,1-4H3/t13?,14-/m1/s1
InChIKeyKDPAWWUGBVKBPD-ARLHGKGLSA-N
MW229.41 g/mol
LogP3.34
Rot. Bonds10

About (2S)-3-methyl-2-(nonan-2-ylamino)butan-1-ol

(2S)-3-methyl-2-(nonan-2-ylamino)butan-1-ol (PubChem CID 79253877) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is (2S)-3-methyl-2-(nonan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-(nonan-2-ylamino)butan-1-ol
PubChem CID79253877
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name(2S)-3-methyl-2-(nonan-2-ylamino)butan-1-ol
SMILESCCCCCCCC(C)N[C@H](CO)C(C)C
InChIInChI=1S/C14H31NO/c1-5-6-7-8-9-10-13(4)15-14(11-16)12(2)3/h12-16H,5-11H2,1-4H3/t13?,14-/m1/s1
InChIKeyKDPAWWUGBVKBPD-ARLHGKGLSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(nonadecan-2-ylamino)propan-1-ol
CID 3020463
(2R)-2-(heptan-2-ylamino)propan-1-ol
CID 114986918
N-tetradecan-2-yltetradecan-2-amine
CID 20841578
1-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-(1-hydroxytetradecylamino)butane-1,3-diol
CID 90790464
(2S)-3-methyl-2-(5-methylhexan-2-ylamino)butan-1-ol
CID 79254000
1-(pentadecan-2-ylamino)ethanol
CID 90985657
(Z)-1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]octadec-9-en-1-ol
CID 143858810
(2R)-2-[[(2R)-heptan-2-yl]amino]butan-1-ol
CID 28724696
1-(nonan-2-ylamino)ethanol;hydrochloride
CID 175146567
2-(nonan-2-ylamino)propanoic acid
CID 61499682
(2S)-3-methyl-2-(octylamino)butan-1-ol
CID 79248963
(2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol
CID 114987230

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(nonan-2-ylamino)butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-(nonan-2-ylamino)butan-1-ol (CID 79253877) is (2S)-3-methyl-2-(nonan-2-ylamino)butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-(nonan-2-ylamino)butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-(nonan-2-ylamino)butan-1-ol is CCCCCCCC(C)N[C@H](CO)C(C)C.
What is the InChIKey of (2S)-3-methyl-2-(nonan-2-ylamino)butan-1-ol?
The InChIKey is KDPAWWUGBVKBPD-ARLHGKGLSA-N. The full InChI is InChI=1S/C14H31NO/c1-5-6-7-8-9-10-13(4)15-14(11-16)12(2)3/h12-16H,5-11H2,1-4H3/t13?,14-/m1/s1.
What are the key properties of (2S)-3-methyl-2-(nonan-2-ylamino)butan-1-ol?
(2S)-3-methyl-2-(nonan-2-ylamino)butan-1-ol has a molecular weight of 229.41 g/mol, XLogP of 3.34, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(nonan-2-ylamino)butan-1-ol is sourced from PubChem (CID 79253877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).