2-[7-cyclopentadecylheptyl(10-propan-2-ylhexadecyl)amino]ethanol

C43H87NO — CID 177194022

IUPAC2-[7-cyclopentadecylheptyl(10-propan-2-ylhexadecyl)amino]ethanol
SMILESCCCCCCC(CCCCCCCCCN(CCO)CCCCCCCC1CCCCCCCCCCCCCC1)C(C)C
InChIInChI=1S/C43H87NO/c1-4-5-6-28-35-43(41(2)3)36-29-22-16-13-17-23-30-37-44(39-40-45)38-31-24-18-21-27-34-42-32-25-19-14-11-9-7-8-10-12-15-20-26-33-42/h41-43,45H,4-40H2,1-3H3
InChIKeyFTYCKGIWLMMKFE-UHFFFAOYSA-N
MW634.18 g/mol
LogP14.08
Rot. Bonds26

About 2-[7-cyclopentadecylheptyl(10-propan-2-ylhexadecyl)amino]ethanol

2-[7-cyclopentadecylheptyl(10-propan-2-ylhexadecyl)amino]ethanol (PubChem CID 177194022) has the molecular formula C43H87NO and a molecular weight of 634.18 g/mol. Its IUPAC name is 2-[7-cyclopentadecylheptyl(10-propan-2-ylhexadecyl)amino]ethanol.

Molecular Properties

Compound Name2-[7-cyclopentadecylheptyl(10-propan-2-ylhexadecyl)amino]ethanol
PubChem CID177194022
Molecular FormulaC43H87NO
Molecular Weight634.18 g/mol
Exact Mass633.68
IUPAC Name2-[7-cyclopentadecylheptyl(10-propan-2-ylhexadecyl)amino]ethanol
SMILESCCCCCCC(CCCCCCCCCN(CCO)CCCCCCCC1CCCCCCCCCCCCCC1)C(C)C
InChIInChI=1S/C43H87NO/c1-4-5-6-28-35-43(41(2)3)36-29-22-16-13-17-23-30-37-44(39-40-45)38-31-24-18-21-27-34-42-32-25-19-14-11-9-7-8-10-12-15-20-26-33-42/h41-43,45H,4-40H2,1-3H3
InChIKeyFTYCKGIWLMMKFE-UHFFFAOYSA-N
XLogP14.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.18
LogP ≤ 514.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

10-cyclohexyl-N,N-dipropyldecan-1-amine;hydrochloride
CID 173360948
ethane;ethenol;formic acid;2-[hexadecyl-[5-(4-pentylcyclohexyl)pentyl]amino]ethanol
CID 176570765
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
2-[octyl(10-pentylpentadecyl)amino]ethanol
CID 170755084
azane;heptylcyclohexane
CID 121434222
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687
6,12-dimethylhexadecylcyclopentane;ethane;methane
CID 145468436
2-[4-dodecylhexadecyl(tetradecyl)amino]ethanol
CID 166893886

Frequently Asked Questions

What is the IUPAC name of 2-[7-cyclopentadecylheptyl(10-propan-2-ylhexadecyl)amino]ethanol?
The IUPAC name of 2-[7-cyclopentadecylheptyl(10-propan-2-ylhexadecyl)amino]ethanol (CID 177194022) is 2-[7-cyclopentadecylheptyl(10-propan-2-ylhexadecyl)amino]ethanol.
What is the SMILES notation for 2-[7-cyclopentadecylheptyl(10-propan-2-ylhexadecyl)amino]ethanol?
The canonical SMILES for 2-[7-cyclopentadecylheptyl(10-propan-2-ylhexadecyl)amino]ethanol is CCCCCCC(CCCCCCCCCN(CCO)CCCCCCCC1CCCCCCCCCCCCCC1)C(C)C.
What is the InChIKey of 2-[7-cyclopentadecylheptyl(10-propan-2-ylhexadecyl)amino]ethanol?
The InChIKey is FTYCKGIWLMMKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H87NO/c1-4-5-6-28-35-43(41(2)3)36-29-22-16-13-17-23-30-37-44(39-40-45)38-31-24-18-21-27-34-42-32-25-19-14-11-9-7-8-10-12-15-20-26-33-42/h41-43,45H,4-40H2,1-3H3.
What are the key properties of 2-[7-cyclopentadecylheptyl(10-propan-2-ylhexadecyl)amino]ethanol?
2-[7-cyclopentadecylheptyl(10-propan-2-ylhexadecyl)amino]ethanol has a molecular weight of 634.18 g/mol, XLogP of 14.08, 26 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-cyclopentadecylheptyl(10-propan-2-ylhexadecyl)amino]ethanol is sourced from PubChem (CID 177194022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).