4,4-dimethyl-5-(undecan-6-ylamino)pentan-1-ol

C18H39NO — CID 106144836

IUPAC4,4-dimethyl-5-(undecan-6-ylamino)pentan-1-ol
SMILESCCCCCC(CCCCC)NCC(C)(C)CCCO
InChIInChI=1S/C18H39NO/c1-5-7-9-12-17(13-10-8-6-2)19-16-18(3,4)14-11-15-20/h17,19-20H,5-16H2,1-4H3
InChIKeyABYXSWQWSXOCSP-UHFFFAOYSA-N
MW285.52 g/mol
LogP4.90
Rot. Bonds14

About 4,4-dimethyl-5-(undecan-6-ylamino)pentan-1-ol

4,4-dimethyl-5-(undecan-6-ylamino)pentan-1-ol (PubChem CID 106144836) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is 4,4-dimethyl-5-(undecan-6-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-(undecan-6-ylamino)pentan-1-ol
PubChem CID106144836
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC Name4,4-dimethyl-5-(undecan-6-ylamino)pentan-1-ol
SMILESCCCCCC(CCCCC)NCC(C)(C)CCCO
InChIInChI=1S/C18H39NO/c1-5-7-9-12-17(13-10-8-6-2)19-16-18(3,4)14-11-15-20/h17,19-20H,5-16H2,1-4H3
InChIKeyABYXSWQWSXOCSP-UHFFFAOYSA-N
XLogP4.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 54.90
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

methyl 2-[(5-hydroxy-2,2-dimethylpentyl)amino]hexanoate
CID 106149126
5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol
CID 15272899
2,2-difluoro-3-(undecan-6-ylamino)propan-1-ol
CID 106173035
7,7-dimethyldocosan-1-ol
CID 150860437
6-[12-(6-hydroxyhexylamino)hexadecan-5-ylamino]hexan-1-ol
CID 11798078
2-(2,2-dimethylheptylamino)hexanoic acid
CID 103259108
3-(heptan-4-ylamino)-2,2-dimethylpropan-1-ol
CID 115359046
2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine
CID 126694483
decan-1-ol;8,8-dimethylundecan-1-ol
CID 162145912
3-(propylamino)dodecan-1-ol
CID 114078400
5-(1-cyclopropylpropylamino)-4,4-dimethylpentan-1-ol
CID 103898995
9-polanylicosan-1-ol
CID 175323783

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(undecan-6-ylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-5-(undecan-6-ylamino)pentan-1-ol (CID 106144836) is 4,4-dimethyl-5-(undecan-6-ylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-5-(undecan-6-ylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-5-(undecan-6-ylamino)pentan-1-ol is CCCCCC(CCCCC)NCC(C)(C)CCCO.
What is the InChIKey of 4,4-dimethyl-5-(undecan-6-ylamino)pentan-1-ol?
The InChIKey is ABYXSWQWSXOCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO/c1-5-7-9-12-17(13-10-8-6-2)19-16-18(3,4)14-11-15-20/h17,19-20H,5-16H2,1-4H3.
What are the key properties of 4,4-dimethyl-5-(undecan-6-ylamino)pentan-1-ol?
4,4-dimethyl-5-(undecan-6-ylamino)pentan-1-ol has a molecular weight of 285.52 g/mol, XLogP of 4.90, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(undecan-6-ylamino)pentan-1-ol is sourced from PubChem (CID 106144836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).