2-(nonadecan-2-ylamino)propan-1-ol

C22H47NO — CID 3020463

IUPAC2-(nonadecan-2-ylamino)propan-1-ol
SMILESCCCCCCCCCCCCCCCCCC(C)NC(C)CO
InChIInChI=1S/C22H47NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)23-22(3)20-24/h21-24H,4-20H2,1-3H3
InChIKeyCXFKTVFYTXJSMA-UHFFFAOYSA-N
MW341.62 g/mol
LogP6.61
Rot. Bonds19

About 2-(nonadecan-2-ylamino)propan-1-ol

2-(nonadecan-2-ylamino)propan-1-ol (PubChem CID 3020463) has the molecular formula C22H47NO and a molecular weight of 341.62 g/mol. Its IUPAC name is 2-(nonadecan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-(nonadecan-2-ylamino)propan-1-ol
PubChem CID3020463
Molecular FormulaC22H47NO
Molecular Weight341.62 g/mol
Exact Mass341.37
IUPAC Name2-(nonadecan-2-ylamino)propan-1-ol
SMILESCCCCCCCCCCCCCCCCCC(C)NC(C)CO
InChIInChI=1S/C22H47NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)23-22(3)20-24/h21-24H,4-20H2,1-3H3
InChIKeyCXFKTVFYTXJSMA-UHFFFAOYSA-N
XLogP6.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.62
LogP ≤ 56.61
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

(2R)-2-(heptan-2-ylamino)propan-1-ol
CID 114986918
N-tetradecan-2-yltetradecan-2-amine
CID 20841578
(2R)-2-(undecan-6-ylamino)propan-1-ol
CID 114987067
(2S)-3-methyl-2-(nonan-2-ylamino)butan-1-ol
CID 79253877
1-(pentadecan-2-ylamino)ethanol
CID 90985657
(2S)-N-butan-2-ylheptan-2-amine
CID 163467139
(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
3-(hexan-2-ylamino)butan-1-ol
CID 81338957
(2S)-N-[(2R)-1-methoxypropan-2-yl]nonan-2-amine
CID 94840789
N-hexadecan-2-ylhydroxylamine
CID 54390562

Frequently Asked Questions

What is the IUPAC name of 2-(nonadecan-2-ylamino)propan-1-ol?
The IUPAC name of 2-(nonadecan-2-ylamino)propan-1-ol (CID 3020463) is 2-(nonadecan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-(nonadecan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-(nonadecan-2-ylamino)propan-1-ol is CCCCCCCCCCCCCCCCCC(C)NC(C)CO.
What is the InChIKey of 2-(nonadecan-2-ylamino)propan-1-ol?
The InChIKey is CXFKTVFYTXJSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)23-22(3)20-24/h21-24H,4-20H2,1-3H3.
What are the key properties of 2-(nonadecan-2-ylamino)propan-1-ol?
2-(nonadecan-2-ylamino)propan-1-ol has a molecular weight of 341.62 g/mol, XLogP of 6.61, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(nonadecan-2-ylamino)propan-1-ol is sourced from PubChem (CID 3020463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).