N'-methyl-N-[5-(methylamino)pent-1-en-2-yl]methanimidamide

C8H17N3 — CID 143220525

IUPACN'-methyl-N-[5-(methylamino)pent-1-en-2-yl]methanimidamide
SMILESC=C(CCCNC)N/C=N/C
InChIInChI=1S/C8H17N3/c1-8(11-7-10-3)5-4-6-9-2/h7,9H,1,4-6H2,2-3H3,(H,10,11)
InChIKeyCSDKUZSMYILOAA-UHFFFAOYSA-N
MW155.25 g/mol
LogP0.75
Rot. Bonds6

About N'-methyl-N-[5-(methylamino)pent-1-en-2-yl]methanimidamide

N'-methyl-N-[5-(methylamino)pent-1-en-2-yl]methanimidamide (PubChem CID 143220525) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is N'-methyl-N-[5-(methylamino)pent-1-en-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[5-(methylamino)pent-1-en-2-yl]methanimidamide
PubChem CID143220525
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC NameN'-methyl-N-[5-(methylamino)pent-1-en-2-yl]methanimidamide
SMILESC=C(CCCNC)N/C=N/C
InChIInChI=1S/C8H17N3/c1-8(11-7-10-3)5-4-6-9-2/h7,9H,1,4-6H2,2-3H3,(H,10,11)
InChIKeyCSDKUZSMYILOAA-UHFFFAOYSA-N
XLogP0.75
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze N'-methyl-N-[5-(methylamino)pent-1-en-2-yl]methanimidamide 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

5-(2,2-dimethylpropyl)-1H-imidazole-1,3-diium
CID 58443705
6-methylidene-4,5-dihydro-1H-pyrimidine
CID 59716033
[(2R)-1-(1H-imidazol-1-ium-5-yl)propan-2-yl]azanium
CID 60105779
N'-methyl-N-(3-methylbut-1-en-2-yl)methanimidamide
CID 89281937
1-butyl-4-ethyl-1H-imidazol-1-ium bromide
CID 118093705
N'-ethyl-N-[(Z)-pent-2-en-2-yl]methanimidamide
CID 123627993
N'-ethyl-N-penta-1,2-dien-3-ylmethanimidamide
CID 129058107
N-but-1-en-2-yl-N'-methylmethanimidamide
CID 132036532
N-(3-aminopropyl)-N-methyl-N'-prop-1-en-2-ylmethanimidamide
CID 139418893
ethane;1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine
CID 142224396
N-(4-aminobut-1-en-2-yl)-N'-methylmethanimidamide
CID 142272967
N-but-1-en-2-yl-N'-ethylmethanimidamide
CID 146389350

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[5-(methylamino)pent-1-en-2-yl]methanimidamide?
The IUPAC name of N'-methyl-N-[5-(methylamino)pent-1-en-2-yl]methanimidamide (CID 143220525) is N'-methyl-N-[5-(methylamino)pent-1-en-2-yl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[5-(methylamino)pent-1-en-2-yl]methanimidamide?
The canonical SMILES for N'-methyl-N-[5-(methylamino)pent-1-en-2-yl]methanimidamide is C=C(CCCNC)N/C=N/C.
What is the InChIKey of N'-methyl-N-[5-(methylamino)pent-1-en-2-yl]methanimidamide?
The InChIKey is CSDKUZSMYILOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-8(11-7-10-3)5-4-6-9-2/h7,9H,1,4-6H2,2-3H3,(H,10,11).
What are the key properties of N'-methyl-N-[5-(methylamino)pent-1-en-2-yl]methanimidamide?
N'-methyl-N-[5-(methylamino)pent-1-en-2-yl]methanimidamide has a molecular weight of 155.25 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[5-(methylamino)pent-1-en-2-yl]methanimidamide is sourced from PubChem (CID 143220525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).