N-dodecyl-N-methyltridecan-2-amine

C26H55N — CID 87784054

IUPACN-dodecyl-N-methyltridecan-2-amine
SMILESCCCCCCCCCCCCN(C)C(C)CCCCCCCCCCC
InChIInChI=1S/C26H55N/c1-5-7-9-11-13-15-17-19-21-23-25-27(4)26(3)24-22-20-18-16-14-12-10-8-6-2/h26H,5-25H2,1-4H3
InChIKeyCJCFLIPWLWUJKV-UHFFFAOYSA-N
MW381.73 g/mol
LogP9.15
Rot. Bonds22

About N-dodecyl-N-methyltridecan-2-amine

N-dodecyl-N-methyltridecan-2-amine (PubChem CID 87784054) has the molecular formula C26H55N and a molecular weight of 381.73 g/mol. Its IUPAC name is N-dodecyl-N-methyltridecan-2-amine.

Molecular Properties

Compound NameN-dodecyl-N-methyltridecan-2-amine
PubChem CID87784054
Molecular FormulaC26H55N
Molecular Weight381.73 g/mol
Exact Mass381.43
IUPAC NameN-dodecyl-N-methyltridecan-2-amine
SMILESCCCCCCCCCCCCN(C)C(C)CCCCCCCCCCC
InChIInChI=1S/C26H55N/c1-5-7-9-11-13-15-17-19-21-23-25-27(4)26(3)24-22-20-18-16-14-12-10-8-6-2/h26H,5-25H2,1-4H3
InChIKeyCJCFLIPWLWUJKV-UHFFFAOYSA-N
XLogP9.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.73
LogP ≤ 59.15
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

N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
N-(1-bromopropan-2-yl)-N-methyldodecan-1-amine
CID 104554825
2-N-dodecyl-2-N-methylpropane-1,2-diamine
CID 104556816
N-(1-bromopropan-2-yl)-N-methylheptan-1-amine
CID 104554827
ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410
N'-methyl-N'-pentan-2-ylhexane-1,6-diamine
CID 43572239
N,N-dimethylnonadecan-2-amine;hydrochloride
CID 175046684
1-[dodecyl(methyl)amino]propane-1,2-diol
CID 129203951
2-[hexan-2-yl(methyl)amino]ethanol
CID 88539909
3-[dodecyl(methyl)amino]butanenitrile
CID 63517586
N,N-di(tridecan-2-yl)tridecan-2-amine
CID 87098451
N,N-di(nonadecan-2-yl)nonadecan-2-amine
CID 19594136

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-N-methyltridecan-2-amine?
The IUPAC name of N-dodecyl-N-methyltridecan-2-amine (CID 87784054) is N-dodecyl-N-methyltridecan-2-amine.
What is the SMILES notation for N-dodecyl-N-methyltridecan-2-amine?
The canonical SMILES for N-dodecyl-N-methyltridecan-2-amine is CCCCCCCCCCCCN(C)C(C)CCCCCCCCCCC.
What is the InChIKey of N-dodecyl-N-methyltridecan-2-amine?
The InChIKey is CJCFLIPWLWUJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55N/c1-5-7-9-11-13-15-17-19-21-23-25-27(4)26(3)24-22-20-18-16-14-12-10-8-6-2/h26H,5-25H2,1-4H3.
What are the key properties of N-dodecyl-N-methyltridecan-2-amine?
N-dodecyl-N-methyltridecan-2-amine has a molecular weight of 381.73 g/mol, XLogP of 9.15, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N-methyltridecan-2-amine is sourced from PubChem (CID 87784054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).