N'-butyl-N,N-diethyl-4-methylpent-3-enimidamide

C14H28N2 — CID 12709000

IUPACN'-butyl-N,N-diethyl-4-methylpent-3-enimidamide
SMILESCCCC/N=C(\CC=C(C)C)N(CC)CC
InChIInChI=1S/C14H28N2/c1-6-9-12-15-14(11-10-13(4)5)16(7-2)8-3/h10H,6-9,11-12H2,1-5H3/b15-14+
InChIKeyCTYSPAPXIITINY-CCEZHUSRSA-N
MW224.39 g/mol
LogP3.88
Rot. Bonds7

About N'-butyl-N,N-diethyl-4-methylpent-3-enimidamide

N'-butyl-N,N-diethyl-4-methylpent-3-enimidamide (PubChem CID 12709000) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N'-butyl-N,N-diethyl-4-methylpent-3-enimidamide.

Molecular Properties

Compound NameN'-butyl-N,N-diethyl-4-methylpent-3-enimidamide
PubChem CID12709000
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN'-butyl-N,N-diethyl-4-methylpent-3-enimidamide
SMILESCCCC/N=C(\CC=C(C)C)N(CC)CC
InChIInChI=1S/C14H28N2/c1-6-9-12-15-14(11-10-13(4)5)16(7-2)8-3/h10H,6-9,11-12H2,1-5H3/b15-14+
InChIKeyCTYSPAPXIITINY-CCEZHUSRSA-N
XLogP3.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-methyl-3H-azepin-2-amine
CID 12218528
N,N-diethyl-6-methyl-3H-azepin-2-amine
CID 12218529
N,N-diethyl-4,5,6-trimethyl-3H-azepin-2-amine
CID 172418663
N,N-diethyl-5,6-dimethyl-3H-azepin-2-amine
CID 172418770
N,N-diethyl-4,6-dimethyl-3H-azepin-2-amine
CID 172418773
Fbwwiurjvnwyoc-pfondfgasa-
CID 23266559
Rywfhjyzndbshf-benrwuelsa-
CID 23272377
Urqhmiopmodyon-seyxrhqnsa-
CID 23272502
N-ethyl-1-methyl-2,5-dihydropyridin-6-imine
CID 56614380
N-butyl-1-propan-2-yl-2,5-dihydropyridin-6-imine
CID 56625185
N,N-diethyl-2,5-dihydropyridin-6-amine
CID 56625538
N-butyl-1-methyl-2,5-dihydropyridin-6-imine
CID 56629172

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N,N-diethyl-4-methylpent-3-enimidamide?
The IUPAC name of N'-butyl-N,N-diethyl-4-methylpent-3-enimidamide (CID 12709000) is N'-butyl-N,N-diethyl-4-methylpent-3-enimidamide.
What is the SMILES notation for N'-butyl-N,N-diethyl-4-methylpent-3-enimidamide?
The canonical SMILES for N'-butyl-N,N-diethyl-4-methylpent-3-enimidamide is CCCC/N=C(\CC=C(C)C)N(CC)CC.
What is the InChIKey of N'-butyl-N,N-diethyl-4-methylpent-3-enimidamide?
The InChIKey is CTYSPAPXIITINY-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H28N2/c1-6-9-12-15-14(11-10-13(4)5)16(7-2)8-3/h10H,6-9,11-12H2,1-5H3/b15-14+.
What are the key properties of N'-butyl-N,N-diethyl-4-methylpent-3-enimidamide?
N'-butyl-N,N-diethyl-4-methylpent-3-enimidamide has a molecular weight of 224.39 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N,N-diethyl-4-methylpent-3-enimidamide is sourced from PubChem (CID 12709000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).