N-(2-methylpropyl)-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine

C12H22N4 — CID 79598527

IUPACN-(2-methylpropyl)-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
SMILESCC(C)CNCCC=CCc1ncnn1C
InChIInChI=1S/C12H22N4/c1-11(2)9-13-8-6-4-5-7-12-14-10-15-16(12)3/h4-5,10-11,13H,6-9H2,1-3H3
InChIKeyBSWPUFPTSUBBNY-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.55
Rot. Bonds7

About N-(2-methylpropyl)-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine

N-(2-methylpropyl)-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine (PubChem CID 79598527) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
PubChem CID79598527
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-(2-methylpropyl)-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
SMILESCC(C)CNCCC=CCc1ncnn1C
InChIInChI=1S/C12H22N4/c1-11(2)9-13-8-6-4-5-7-12-14-10-15-16(12)3/h4-5,10-11,13H,6-9H2,1-3H3
InChIKeyBSWPUFPTSUBBNY-UHFFFAOYSA-N
XLogP1.55
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methylpropyl)-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pent-3-en-1-amine
CID 79599180
N-(2-methoxyethyl)-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
CID 79598149
3-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102905256
5-(2,6-dichlorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79598142
5-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79816498
(E)-4-(3-methoxypyrazin-2-yl)-N-(2-methylpropyl)but-3-en-1-amine
CID 104516737
5-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79598400
2-methyl-N-[[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 114535095
N-tert-butyl-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
CID 79593237
N-ethyl-2,3-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 81015585
(E)-4-(4-bromo-1-ethylpyrazol-5-yl)-N-(2-methylpropyl)but-3-en-1-amine
CID 114666268
N-tert-butyl-5-(2-ethyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
CID 79598770

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine?
The IUPAC name of N-(2-methylpropyl)-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine (CID 79598527) is N-(2-methylpropyl)-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine?
The canonical SMILES for N-(2-methylpropyl)-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine is CC(C)CNCCC=CCc1ncnn1C.
What is the InChIKey of N-(2-methylpropyl)-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine?
The InChIKey is BSWPUFPTSUBBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-11(2)9-13-8-6-4-5-7-12-14-10-15-16(12)3/h4-5,10-11,13H,6-9H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine?
N-(2-methylpropyl)-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine is sourced from PubChem (CID 79598527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).