N-dodecyl-N-(2-methyldecan-2-yl)dodecan-1-amine

C35H73N — CID 139723218

IUPACN-dodecyl-N-(2-methyldecan-2-yl)dodecan-1-amine
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)C(C)(C)CCCCCCCC
InChIInChI=1S/C35H73N/c1-6-9-12-15-18-20-22-24-27-30-33-36(35(4,5)32-29-26-17-14-11-8-3)34-31-28-25-23-21-19-16-13-10-7-2/h6-34H2,1-5H3
InChIKeyCWYASOIFSQBMJD-UHFFFAOYSA-N
MW507.98 g/mol
LogP12.66
Rot. Bonds30

About N-dodecyl-N-(2-methyldecan-2-yl)dodecan-1-amine

N-dodecyl-N-(2-methyldecan-2-yl)dodecan-1-amine (PubChem CID 139723218) has the molecular formula C35H73N and a molecular weight of 507.98 g/mol. Its IUPAC name is N-dodecyl-N-(2-methyldecan-2-yl)dodecan-1-amine.

Molecular Properties

Compound NameN-dodecyl-N-(2-methyldecan-2-yl)dodecan-1-amine
PubChem CID139723218
Molecular FormulaC35H73N
Molecular Weight507.98 g/mol
Exact Mass507.57
IUPAC NameN-dodecyl-N-(2-methyldecan-2-yl)dodecan-1-amine
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)C(C)(C)CCCCCCCC
InChIInChI=1S/C35H73N/c1-6-9-12-15-18-20-22-24-27-30-33-36(35(4,5)32-29-26-17-14-11-8-3)34-31-28-25-23-21-19-16-13-10-7-2/h6-34H2,1-5H3
InChIKeyCWYASOIFSQBMJD-UHFFFAOYSA-N
XLogP12.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.98
LogP ≤ 512.66
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

2-methyl-N,N-dipentyltetradecan-2-amine
CID 139724044
N,N-diheptyl-2-methylhexadecan-2-amine
CID 139723991
2-methyl-N,N-dioctyloctan-2-amine
CID 139723132
N-hexadecyl-N-(2-methyldodecan-2-yl)hexadecan-1-amine
CID 139722634
2-methyl-N,N-dipentyldodecan-2-amine
CID 139723912
N-(2-methylhexan-2-yl)-N-nonylnonan-1-amine
CID 139722528
N,N-dibutyl-2-methyltridecan-2-amine
CID 139722589
N-(2-methylpentan-2-yl)-N-tridecyltridecan-1-amine
CID 139722947
N-(2-methylpentan-2-yl)-N-nonylnonan-1-amine
CID 139723287
2-methyl-N,N-dipentylpentan-2-amine
CID 139722937
3-[3-hydroxypropyl(2-methylundecan-2-yl)amino]propan-1-ol
CID 18184043
N'-(2-methylundecan-2-yl)-N'-propylpropane-1,3-diamine
CID 162197438

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-N-(2-methyldecan-2-yl)dodecan-1-amine?
The IUPAC name of N-dodecyl-N-(2-methyldecan-2-yl)dodecan-1-amine (CID 139723218) is N-dodecyl-N-(2-methyldecan-2-yl)dodecan-1-amine.
What is the SMILES notation for N-dodecyl-N-(2-methyldecan-2-yl)dodecan-1-amine?
The canonical SMILES for N-dodecyl-N-(2-methyldecan-2-yl)dodecan-1-amine is CCCCCCCCCCCCN(CCCCCCCCCCCC)C(C)(C)CCCCCCCC.
What is the InChIKey of N-dodecyl-N-(2-methyldecan-2-yl)dodecan-1-amine?
The InChIKey is CWYASOIFSQBMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H73N/c1-6-9-12-15-18-20-22-24-27-30-33-36(35(4,5)32-29-26-17-14-11-8-3)34-31-28-25-23-21-19-16-13-10-7-2/h6-34H2,1-5H3.
What are the key properties of N-dodecyl-N-(2-methyldecan-2-yl)dodecan-1-amine?
N-dodecyl-N-(2-methyldecan-2-yl)dodecan-1-amine has a molecular weight of 507.98 g/mol, XLogP of 12.66, 30 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N-(2-methyldecan-2-yl)dodecan-1-amine is sourced from PubChem (CID 139723218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).