N-tert-butyl-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine

C14H26N4 — CID 79593237

IUPACN-tert-butyl-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
SMILESCCCn1ncnc1CC=CCCNC(C)(C)C
InChIInChI=1S/C14H26N4/c1-5-11-18-13(15-12-17-18)9-7-6-8-10-16-14(2,3)4/h6-7,12,16H,5,8-11H2,1-4H3
InChIKeyCTQJASAQONURBL-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.57
Rot. Bonds7

About N-tert-butyl-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine

N-tert-butyl-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine (PubChem CID 79593237) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-tert-butyl-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
PubChem CID79593237
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-tert-butyl-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
SMILESCCCn1ncnc1CC=CCCNC(C)(C)C
InChIInChI=1S/C14H26N4/c1-5-11-18-13(15-12-17-18)9-7-6-8-10-16-14(2,3)4/h6-7,12,16H,5,8-11H2,1-4H3
InChIKeyCTQJASAQONURBL-UHFFFAOYSA-N
XLogP2.57
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.57
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'}

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Related Compounds

N-tert-butyl-5-(2-ethyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
CID 79598770
N-(2-methoxyethyl)-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
CID 79598149
5-(5-bromopent-2-enyl)-1-ethyl-1,2,4-triazole
CID 79603950
N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 83159712
3,3-dimethyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 83138306
2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 103461398
(2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride
CID 139026277
2-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 80557324
N-(2-methoxyethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pent-3-en-1-amine
CID 79599180
3-methyl-3-(methylamino)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-one
CID 116566382
N-(2-methylpropyl)-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
CID 79598527
N-tert-butylhex-3-en-1-amine
CID 112734327

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine?
The IUPAC name of N-tert-butyl-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine (CID 79593237) is N-tert-butyl-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine?
The canonical SMILES for N-tert-butyl-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine is CCCn1ncnc1CC=CCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine?
The InChIKey is CTQJASAQONURBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-11-18-13(15-12-17-18)9-7-6-8-10-16-14(2,3)4/h6-7,12,16H,5,8-11H2,1-4H3.
What are the key properties of N-tert-butyl-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine?
N-tert-butyl-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine is sourced from PubChem (CID 79593237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).