4,4-dimethyl-5-(4-methylpentylamino)pentan-1-ol

C13H29NO — CID 102672784

IUPAC4,4-dimethyl-5-(4-methylpentylamino)pentan-1-ol
SMILESCC(C)CCCNCC(C)(C)CCCO
InChIInChI=1S/C13H29NO/c1-12(2)7-5-9-14-11-13(3,4)8-6-10-15/h12,14-15H,5-11H2,1-4H3
InChIKeySYCMICYEIKUTES-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.81
Rot. Bonds9

About 4,4-dimethyl-5-(4-methylpentylamino)pentan-1-ol

4,4-dimethyl-5-(4-methylpentylamino)pentan-1-ol (PubChem CID 102672784) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 4,4-dimethyl-5-(4-methylpentylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-(4-methylpentylamino)pentan-1-ol
PubChem CID102672784
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name4,4-dimethyl-5-(4-methylpentylamino)pentan-1-ol
SMILESCC(C)CCCNCC(C)(C)CCCO
InChIInChI=1S/C13H29NO/c1-12(2)7-5-9-14-11-13(3,4)8-6-10-15/h12,14-15H,5-11H2,1-4H3
InChIKeySYCMICYEIKUTES-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.81
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-(3-Methylpiperidin-4-yl)ethan-1-ol
CID 13419581
2-Methyl-2-(piperidin-4-yl)propan-1-ol
CID 13478140
(3-Methylpiperidin-3-yl)methanol
CID 19594566
2-(Piperidin-4-yl)propan-1-ol
CID 22928829
(3-Ethylpiperidin-3-yl)methanol hydrochloride
CID 75467424
2-(4-Methylpiperidin-4-yl)ethan-1-ol hydrochloride
CID 165761211
(3-(Propan-2-yl)piperidin-3-yl)methanol
CID 84072936
[3-(Methoxymethyl)piperidin-3-yl]methanol
CID 103984996
(3-Ethylpiperidin-3-YL)methanol
CID 44827704
2-(4-Methylpiperidin-4-yl)ethan-1-ol
CID 55286905
2-[(2S,3S)-2-fluoro-3,4-dimethylpyrrolidin-3-yl]propan-1-ol
CID 173992720
3-(1,5,9-Triazacyclododec-3-yl)propan-1-ol
CID 91025701

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(4-methylpentylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-5-(4-methylpentylamino)pentan-1-ol (CID 102672784) is 4,4-dimethyl-5-(4-methylpentylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-5-(4-methylpentylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-5-(4-methylpentylamino)pentan-1-ol is CC(C)CCCNCC(C)(C)CCCO.
What is the InChIKey of 4,4-dimethyl-5-(4-methylpentylamino)pentan-1-ol?
The InChIKey is SYCMICYEIKUTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-12(2)7-5-9-14-11-13(3,4)8-6-10-15/h12,14-15H,5-11H2,1-4H3.
What are the key properties of 4,4-dimethyl-5-(4-methylpentylamino)pentan-1-ol?
4,4-dimethyl-5-(4-methylpentylamino)pentan-1-ol has a molecular weight of 215.38 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(4-methylpentylamino)pentan-1-ol is sourced from PubChem (CID 102672784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).