N-tert-butyl-4-(1-methylimidazol-2-yl)pent-3-en-1-amine

C13H23N3 — CID 79608061

IUPACN-tert-butyl-4-(1-methylimidazol-2-yl)pent-3-en-1-amine
SMILESCC(=CCCNC(C)(C)C)c1nccn1C
InChIInChI=1S/C13H23N3/c1-11(12-14-9-10-16(12)5)7-6-8-15-13(2,3)4/h7,9-10,15H,6,8H2,1-5H3
InChIKeyVHCIDQFTUSWDLP-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.60
Rot. Bonds4

About N-tert-butyl-4-(1-methylimidazol-2-yl)pent-3-en-1-amine

N-tert-butyl-4-(1-methylimidazol-2-yl)pent-3-en-1-amine (PubChem CID 79608061) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-tert-butyl-4-(1-methylimidazol-2-yl)pent-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(1-methylimidazol-2-yl)pent-3-en-1-amine
PubChem CID79608061
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-tert-butyl-4-(1-methylimidazol-2-yl)pent-3-en-1-amine
SMILESCC(=CCCNC(C)(C)C)c1nccn1C
InChIInChI=1S/C13H23N3/c1-11(12-14-9-10-16(12)5)7-6-8-15-13(2,3)4/h7,9-10,15H,6,8H2,1-5H3
InChIKeyVHCIDQFTUSWDLP-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(1-methylimidazol-2-yl)-N-propylpent-3-en-1-amine
CID 79599262
2-[(E)-but-2-en-2-yl]-1-methylimidazole
CID 155007735
N-tert-butyl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine
CID 79607971
N-tert-butyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine
CID 62593911
N-tert-butyl-3-methyl-3-(1-methylimidazol-2-yl)butan-1-amine
CID 81023446
2-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propan-2-amine
CID 64503751
2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propan-2-amine
CID 61385863
N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 107445440
N-tert-butyl-4-(1-methylimidazol-2-yl)sulfanylbutan-1-amine
CID 62577482
N-tert-butyl-4-(3-methylphenyl)pent-3-en-1-amine
CID 79607366
2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one
CID 13152280
N-tert-butyl-4-(4-fluoro-3-methylphenyl)pent-3-en-1-amine
CID 79607279

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(1-methylimidazol-2-yl)pent-3-en-1-amine?
The IUPAC name of N-tert-butyl-4-(1-methylimidazol-2-yl)pent-3-en-1-amine (CID 79608061) is N-tert-butyl-4-(1-methylimidazol-2-yl)pent-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-4-(1-methylimidazol-2-yl)pent-3-en-1-amine?
The canonical SMILES for N-tert-butyl-4-(1-methylimidazol-2-yl)pent-3-en-1-amine is CC(=CCCNC(C)(C)C)c1nccn1C.
What is the InChIKey of N-tert-butyl-4-(1-methylimidazol-2-yl)pent-3-en-1-amine?
The InChIKey is VHCIDQFTUSWDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(12-14-9-10-16(12)5)7-6-8-15-13(2,3)4/h7,9-10,15H,6,8H2,1-5H3.
What are the key properties of N-tert-butyl-4-(1-methylimidazol-2-yl)pent-3-en-1-amine?
N-tert-butyl-4-(1-methylimidazol-2-yl)pent-3-en-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(1-methylimidazol-2-yl)pent-3-en-1-amine is sourced from PubChem (CID 79608061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).