2-(butan-2-ylamino)undecan-1-ol

C15H33NO — CID 114078301

IUPAC2-(butan-2-ylamino)undecan-1-ol
SMILESCCCCCCCCCC(CO)NC(C)CC
InChIInChI=1S/C15H33NO/c1-4-6-7-8-9-10-11-12-15(13-17)16-14(3)5-2/h14-17H,4-13H2,1-3H3
InChIKeyCLFRLODKNMPYMB-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.88
Rot. Bonds12

About 2-(butan-2-ylamino)undecan-1-ol

2-(butan-2-ylamino)undecan-1-ol (PubChem CID 114078301) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 2-(butan-2-ylamino)undecan-1-ol.

Molecular Properties

Compound Name2-(butan-2-ylamino)undecan-1-ol
PubChem CID114078301
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name2-(butan-2-ylamino)undecan-1-ol
SMILESCCCCCCCCCC(CO)NC(C)CC
InChIInChI=1S/C15H33NO/c1-4-6-7-8-9-10-11-12-15(13-17)16-14(3)5-2/h14-17H,4-13H2,1-3H3
InChIKeyCLFRLODKNMPYMB-UHFFFAOYSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.88
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-[[(2R)-heptan-2-yl]amino]butan-1-ol
CID 28724696
(2R)-2-(undecan-6-ylamino)propan-1-ol
CID 114987067
2-(methylamino)hexadecan-1-ol
CID 118696061
2-(ethylamino)nonan-1-ol
CID 61050713
(2S)-N-butan-2-ylheptan-2-amine
CID 163467139
2-(nonadecan-2-ylamino)propan-1-ol
CID 3020463
2-(2-hydroxypropylamino)octan-1-ol
CID 86053994
2-(2-hydroxyethylamino)hexadecan-1-ol
CID 87123579
(2R)-2-(heptan-2-ylamino)propan-1-ol
CID 114986918
3-(1-hydroxyoctadecan-3-ylamino)octadecan-1-ol
CID 23169302
2-ethyldodecan-1-ol
CID 545553
2-pentyldodecan-1-ol
CID 23125768

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)undecan-1-ol?
The IUPAC name of 2-(butan-2-ylamino)undecan-1-ol (CID 114078301) is 2-(butan-2-ylamino)undecan-1-ol.
What is the SMILES notation for 2-(butan-2-ylamino)undecan-1-ol?
The canonical SMILES for 2-(butan-2-ylamino)undecan-1-ol is CCCCCCCCCC(CO)NC(C)CC.
What is the InChIKey of 2-(butan-2-ylamino)undecan-1-ol?
The InChIKey is CLFRLODKNMPYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-4-6-7-8-9-10-11-12-15(13-17)16-14(3)5-2/h14-17H,4-13H2,1-3H3.
What are the key properties of 2-(butan-2-ylamino)undecan-1-ol?
2-(butan-2-ylamino)undecan-1-ol has a molecular weight of 243.43 g/mol, XLogP of 3.88, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)undecan-1-ol is sourced from PubChem (CID 114078301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).