N-dodecylbenzotriazol-1-amine

C18H30N4 — CID 155555395

IUPACN-dodecylbenzotriazol-1-amine
SMILESCCCCCCCCCCCCNn1nnc2ccccc21
InChIInChI=1S/C18H30N4/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-18-15-12-11-14-17(18)20-21-22/h11-12,14-15,19H,2-10,13,16H2,1H3
InChIKeyZWNNGEGCWHDMRD-UHFFFAOYSA-N
MW302.47 g/mol
LogP4.90
Rot. Bonds12

About N-dodecylbenzotriazol-1-amine

N-dodecylbenzotriazol-1-amine (PubChem CID 155555395) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is N-dodecylbenzotriazol-1-amine.

Molecular Properties

Compound NameN-dodecylbenzotriazol-1-amine
PubChem CID155555395
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC NameN-dodecylbenzotriazol-1-amine
SMILESCCCCCCCCCCCCNn1nnc2ccccc21
InChIInChI=1S/C18H30N4/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-18-15-12-11-14-17(18)20-21-22/h11-12,14-15,19H,2-10,13,16H2,1H3
InChIKeyZWNNGEGCWHDMRD-UHFFFAOYSA-N
XLogP4.90
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1H-Benzotriazole
CID 7220
1-Aminobenzotriazole
CID 1367
2-Methyl-1,2,3-benzotriazole
CID 85498
2H-1,2,3-Benzotriazol-2-amine
CID 295514
alpha-Methylbenzylaminobenzotriazole
CID 119340
N-Benzyl-1-aminobenzotriazole
CID 4309
N-butylbenzotriazol-1-amine
CID 155560451
4-(2H-1,2,3-benzotriazol-2-yl)aniline
CID 830517
2-Ethylbenzotriazole
CID 590090
2-Butyl-2H-benzo[d][1,2,3]triazole
CID 3343351
1H-Benzotriazol-4-amine
CID 87446
Phosphonium, tetrabutyl-, salt with 1H-benzotriazole (1:1)
CID 163799

Frequently Asked Questions

What is the IUPAC name of N-dodecylbenzotriazol-1-amine?
The IUPAC name of N-dodecylbenzotriazol-1-amine (CID 155555395) is N-dodecylbenzotriazol-1-amine.
What is the SMILES notation for N-dodecylbenzotriazol-1-amine?
The canonical SMILES for N-dodecylbenzotriazol-1-amine is CCCCCCCCCCCCNn1nnc2ccccc21.
What is the InChIKey of N-dodecylbenzotriazol-1-amine?
The InChIKey is ZWNNGEGCWHDMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-18-15-12-11-14-17(18)20-21-22/h11-12,14-15,19H,2-10,13,16H2,1H3.
What are the key properties of N-dodecylbenzotriazol-1-amine?
N-dodecylbenzotriazol-1-amine has a molecular weight of 302.47 g/mol, XLogP of 4.90, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecylbenzotriazol-1-amine is sourced from PubChem (CID 155555395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).