2-hexyl-N-(2-hexyldodecyl)dodecan-1-amine

C36H75N — CID 141299280

IUPAC2-hexyl-N-(2-hexyldodecyl)dodecan-1-amine
SMILESCCCCCCCCCCC(CCCCCC)CNCC(CCCCCC)CCCCCCCCCC
InChIInChI=1S/C36H75N/c1-5-9-13-17-19-21-23-27-31-35(29-25-15-11-7-3)33-37-34-36(30-26-16-12-8-4)32-28-24-22-20-18-14-10-6-2/h35-37H,5-34H2,1-4H3
InChIKeyJAVXPBSQVZCAQV-UHFFFAOYSA-N
MW522.00 g/mol
LogP12.81
Rot. Bonds32

About 2-hexyl-N-(2-hexyldodecyl)dodecan-1-amine

2-hexyl-N-(2-hexyldodecyl)dodecan-1-amine (PubChem CID 141299280) has the molecular formula C36H75N and a molecular weight of 522.00 g/mol. Its IUPAC name is 2-hexyl-N-(2-hexyldodecyl)dodecan-1-amine.

Molecular Properties

Compound Name2-hexyl-N-(2-hexyldodecyl)dodecan-1-amine
PubChem CID141299280
Molecular FormulaC36H75N
Molecular Weight522.00 g/mol
Exact Mass521.59
IUPAC Name2-hexyl-N-(2-hexyldodecyl)dodecan-1-amine
SMILESCCCCCCCCCCC(CCCCCC)CNCC(CCCCCC)CCCCCCCCCC
InChIInChI=1S/C36H75N/c1-5-9-13-17-19-21-23-27-31-35(29-25-15-11-7-3)33-37-34-36(30-26-16-12-8-4)32-28-24-22-20-18-14-10-6-2/h35-37H,5-34H2,1-4H3
InChIKeyJAVXPBSQVZCAQV-UHFFFAOYSA-N
XLogP12.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds32
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.00
LogP ≤ 512.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 63498677
N,2-dipropyloctan-1-amine
CID 63497286
N-(2-methylpropyl)-2-propylheptan-1-amine
CID 63523290
magnesium;N-(2-ethylhexyl)-2-propylheptan-1-amine;dichloride
CID 175293817
1-(2-hydroxyoctadecylamino)octadecan-2-ol
CID 87182048
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
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6-pentyldocosane
CID 90762104
11-pentylheptacosane
CID 91575569
17-pentylhexatriacontane
CID 91327833
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-N-(2-hexyldodecyl)dodecan-1-amine?
The IUPAC name of 2-hexyl-N-(2-hexyldodecyl)dodecan-1-amine (CID 141299280) is 2-hexyl-N-(2-hexyldodecyl)dodecan-1-amine.
What is the SMILES notation for 2-hexyl-N-(2-hexyldodecyl)dodecan-1-amine?
The canonical SMILES for 2-hexyl-N-(2-hexyldodecyl)dodecan-1-amine is CCCCCCCCCCC(CCCCCC)CNCC(CCCCCC)CCCCCCCCCC.
What is the InChIKey of 2-hexyl-N-(2-hexyldodecyl)dodecan-1-amine?
The InChIKey is JAVXPBSQVZCAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H75N/c1-5-9-13-17-19-21-23-27-31-35(29-25-15-11-7-3)33-37-34-36(30-26-16-12-8-4)32-28-24-22-20-18-14-10-6-2/h35-37H,5-34H2,1-4H3.
What are the key properties of 2-hexyl-N-(2-hexyldodecyl)dodecan-1-amine?
2-hexyl-N-(2-hexyldodecyl)dodecan-1-amine has a molecular weight of 522.00 g/mol, XLogP of 12.81, 32 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-N-(2-hexyldodecyl)dodecan-1-amine is sourced from PubChem (CID 141299280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).