(2S)-2-(decylamino)-4-methylpentan-1-ol

C16H35NO — CID 98495932

IUPAC(2S)-2-(decylamino)-4-methylpentan-1-ol
SMILESCCCCCCCCCCN[C@H](CO)CC(C)C
InChIInChI=1S/C16H35NO/c1-4-5-6-7-8-9-10-11-12-17-16(14-18)13-15(2)3/h15-18H,4-14H2,1-3H3/t16-/m0/s1
InChIKeyWCROMPNCFQBCHV-INIZCTEOSA-N
MW257.46 g/mol
LogP4.12
Rot. Bonds13

About (2S)-2-(decylamino)-4-methylpentan-1-ol

(2S)-2-(decylamino)-4-methylpentan-1-ol (PubChem CID 98495932) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is (2S)-2-(decylamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name(2S)-2-(decylamino)-4-methylpentan-1-ol
PubChem CID98495932
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name(2S)-2-(decylamino)-4-methylpentan-1-ol
SMILESCCCCCCCCCCN[C@H](CO)CC(C)C
InChIInChI=1S/C16H35NO/c1-4-5-6-7-8-9-10-11-12-17-16(14-18)13-15(2)3/h15-18H,4-14H2,1-3H3/t16-/m0/s1
InChIKeyWCROMPNCFQBCHV-INIZCTEOSA-N
XLogP4.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.12
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-(butylamino)-4-methylpentan-1-ol
CID 61246841
2-(decylamino)butan-1-ol
CID 60668820
2-(hexylamino)pentan-1-ol
CID 155661034
(2S)-2-(pentylamino)butan-1-ol
CID 28724748
2,6,8-trimethyl-N-octylnonan-4-amine
CID 170847795
3-methoxy-2-(nonylamino)propan-1-ol
CID 106190641
2-(decylamino)-3-methoxypropan-1-ol
CID 114155671
(2S)-2-(hexylamino)propan-1-ol
CID 88509072
2-(2-hydroxyethylamino)hexadecan-1-ol
CID 87123579
(2S)-3-methyl-2-(octylamino)butan-1-ol
CID 79248963
3-(octadecylamino)pentane-1,5-diol;hydrochloride
CID 173050552
5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol
CID 15272899

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(decylamino)-4-methylpentan-1-ol?
The IUPAC name of (2S)-2-(decylamino)-4-methylpentan-1-ol (CID 98495932) is (2S)-2-(decylamino)-4-methylpentan-1-ol.
What is the SMILES notation for (2S)-2-(decylamino)-4-methylpentan-1-ol?
The canonical SMILES for (2S)-2-(decylamino)-4-methylpentan-1-ol is CCCCCCCCCCN[C@H](CO)CC(C)C.
What is the InChIKey of (2S)-2-(decylamino)-4-methylpentan-1-ol?
The InChIKey is WCROMPNCFQBCHV-INIZCTEOSA-N. The full InChI is InChI=1S/C16H35NO/c1-4-5-6-7-8-9-10-11-12-17-16(14-18)13-15(2)3/h15-18H,4-14H2,1-3H3/t16-/m0/s1.
What are the key properties of (2S)-2-(decylamino)-4-methylpentan-1-ol?
(2S)-2-(decylamino)-4-methylpentan-1-ol has a molecular weight of 257.46 g/mol, XLogP of 4.12, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(decylamino)-4-methylpentan-1-ol is sourced from PubChem (CID 98495932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).