N-dodecyl-N,2-dimethyldodecan-1-amine

C26H55N — CID 167511099

IUPACN-dodecyl-N,2-dimethyldodecan-1-amine
SMILESCCCCCCCCCCCCN(C)CC(C)CCCCCCCCCC
InChIInChI=1S/C26H55N/c1-5-7-9-11-13-15-16-18-20-22-24-27(4)25-26(3)23-21-19-17-14-12-10-8-6-2/h26H,5-25H2,1-4H3
InChIKeyGGQQNRNYAMJBSW-UHFFFAOYSA-N
MW381.73 g/mol
LogP9.01
Rot. Bonds22

About N-dodecyl-N,2-dimethyldodecan-1-amine

N-dodecyl-N,2-dimethyldodecan-1-amine (PubChem CID 167511099) has the molecular formula C26H55N and a molecular weight of 381.73 g/mol. Its IUPAC name is N-dodecyl-N,2-dimethyldodecan-1-amine.

Molecular Properties

Compound NameN-dodecyl-N,2-dimethyldodecan-1-amine
PubChem CID167511099
Molecular FormulaC26H55N
Molecular Weight381.73 g/mol
Exact Mass381.43
IUPAC NameN-dodecyl-N,2-dimethyldodecan-1-amine
SMILESCCCCCCCCCCCCN(C)CC(C)CCCCCCCCCC
InChIInChI=1S/C26H55N/c1-5-7-9-11-13-15-16-18-20-22-24-27(4)25-26(3)23-21-19-17-14-12-10-8-6-2/h26H,5-25H2,1-4H3
InChIKeyGGQQNRNYAMJBSW-UHFFFAOYSA-N
XLogP9.01
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 ≤ 59.01
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,N,2-trimethyltridecan-1-amine
CID 90750057
1-[2-hydroxyhexadecyl(methyl)amino]-4-methylicosan-6-ol
CID 156677909
1-[methyl(octyl)amino]propan-2-ol
CID 62333367
1-N-dodecyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine
CID 139634498
4-methylnonane;N-methyl-N-propylpentan-1-amine
CID 142379578
1-[6-[2-hydroxynonyl(methyl)amino]hexyl-methylamino]nonan-2-ol
CID 21332463
N-(2-chloropropyl)-N-methyldecan-1-amine
CID 63388081
1-N-decyl-1-N-methylpropane-1,2-diamine
CID 63758995
N-iodo-N,2-dimethyloctan-1-amine
CID 170106040
1-N,2-N,2-N-trimethyl-1-N-pentylpropane-1,2-diamine
CID 123552259
N,7-dimethyl-N-propylnonan-1-amine
CID 174179101
2-[icosyl(methyl)amino]ethane-1,1-diol
CID 141462336

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-N,2-dimethyldodecan-1-amine?
The IUPAC name of N-dodecyl-N,2-dimethyldodecan-1-amine (CID 167511099) is N-dodecyl-N,2-dimethyldodecan-1-amine.
What is the SMILES notation for N-dodecyl-N,2-dimethyldodecan-1-amine?
The canonical SMILES for N-dodecyl-N,2-dimethyldodecan-1-amine is CCCCCCCCCCCCN(C)CC(C)CCCCCCCCCC.
What is the InChIKey of N-dodecyl-N,2-dimethyldodecan-1-amine?
The InChIKey is GGQQNRNYAMJBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55N/c1-5-7-9-11-13-15-16-18-20-22-24-27(4)25-26(3)23-21-19-17-14-12-10-8-6-2/h26H,5-25H2,1-4H3.
What are the key properties of N-dodecyl-N,2-dimethyldodecan-1-amine?
N-dodecyl-N,2-dimethyldodecan-1-amine has a molecular weight of 381.73 g/mol, XLogP of 9.01, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N,2-dimethyldodecan-1-amine is sourced from PubChem (CID 167511099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).