N-(2-ethylhexyl)-N-(7-methyloctyl)decan-1-amine

C27H57N — CID 152619191

IUPACN-(2-ethylhexyl)-N-(7-methyloctyl)decan-1-amine
SMILESCCCCCCCCCCN(CCCCCCC(C)C)CC(CC)CCCC
InChIInChI=1S/C27H57N/c1-6-9-11-12-13-14-16-19-23-28(25-27(8-3)22-10-7-2)24-20-17-15-18-21-26(4)5/h26-27H,6-25H2,1-5H3
InChIKeyZBDVQSTZCKHWJB-UHFFFAOYSA-N
MW395.76 g/mol
LogP9.25
Rot. Bonds22

About N-(2-ethylhexyl)-N-(7-methyloctyl)decan-1-amine

N-(2-ethylhexyl)-N-(7-methyloctyl)decan-1-amine (PubChem CID 152619191) has the molecular formula C27H57N and a molecular weight of 395.76 g/mol. Its IUPAC name is N-(2-ethylhexyl)-N-(7-methyloctyl)decan-1-amine.

Molecular Properties

Compound NameN-(2-ethylhexyl)-N-(7-methyloctyl)decan-1-amine
PubChem CID152619191
Molecular FormulaC27H57N
Molecular Weight395.76 g/mol
Exact Mass395.45
IUPAC NameN-(2-ethylhexyl)-N-(7-methyloctyl)decan-1-amine
SMILESCCCCCCCCCCN(CCCCCCC(C)C)CC(CC)CCCC
InChIInChI=1S/C27H57N/c1-6-9-11-12-13-14-16-19-23-28(25-27(8-3)22-10-7-2)24-20-17-15-18-21-26(4)5/h26-27H,6-25H2,1-5H3
InChIKeyZBDVQSTZCKHWJB-UHFFFAOYSA-N
XLogP9.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.76
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N,N-dibutyl-2-ethylhexan-1-amine
CID 40541425
15-methyl-N,N-di(pentadecyl)hexadecan-1-amine
CID 139722859
N-(9-methyldecyl)-N-octadecyloctadecan-1-amine
CID 139722861
N,N-bis(10-methylundecyl)hexadecan-1-amine
CID 139723319
N,N-dihexyl-12-methyltridecan-1-amine
CID 139723652
11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine
CID 139722518
N,N-didodecyl-16-methylheptadecan-1-amine
CID 139723359
N,N-bis(12-methyltridecyl)heptadecan-1-amine
CID 139722647
N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine
CID 139723142
N-(12-methyltridecyl)-N-octadecyloctadecan-1-amine
CID 139723792
N-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine
CID 139723116
13-methyl-N-(13-methyltetradecyl)-N-octyltetradecan-1-amine
CID 139723246

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-N-(7-methyloctyl)decan-1-amine?
The IUPAC name of N-(2-ethylhexyl)-N-(7-methyloctyl)decan-1-amine (CID 152619191) is N-(2-ethylhexyl)-N-(7-methyloctyl)decan-1-amine.
What is the SMILES notation for N-(2-ethylhexyl)-N-(7-methyloctyl)decan-1-amine?
The canonical SMILES for N-(2-ethylhexyl)-N-(7-methyloctyl)decan-1-amine is CCCCCCCCCCN(CCCCCCC(C)C)CC(CC)CCCC.
What is the InChIKey of N-(2-ethylhexyl)-N-(7-methyloctyl)decan-1-amine?
The InChIKey is ZBDVQSTZCKHWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57N/c1-6-9-11-12-13-14-16-19-23-28(25-27(8-3)22-10-7-2)24-20-17-15-18-21-26(4)5/h26-27H,6-25H2,1-5H3.
What are the key properties of N-(2-ethylhexyl)-N-(7-methyloctyl)decan-1-amine?
N-(2-ethylhexyl)-N-(7-methyloctyl)decan-1-amine has a molecular weight of 395.76 g/mol, XLogP of 9.25, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-N-(7-methyloctyl)decan-1-amine is sourced from PubChem (CID 152619191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).