N-(3-aminopropyl)-N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide

C8H17N3 — CID 145189916

IUPACN-(3-aminopropyl)-N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide
SMILESC/C=C\N(/C=N/C)CCCN
InChIInChI=1S/C8H17N3/c1-3-6-11(8-10-2)7-4-5-9/h3,6,8H,4-5,7,9H2,1-2H3/b6-3-,10-8+
InChIKeyMQYCFZJJZIUTFZ-SEPXKUGTSA-N
MW155.24 g/mol
LogP0.83
Rot. Bonds5

About N-(3-aminopropyl)-N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide

N-(3-aminopropyl)-N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide (PubChem CID 145189916) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(3-aminopropyl)-N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide
PubChem CID145189916
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC NameN-(3-aminopropyl)-N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide
SMILESC/C=C\N(/C=N/C)CCCN
InChIInChI=1S/C8H17N3/c1-3-6-11(8-10-2)7-4-5-9/h3,6,8H,4-5,7,9H2,1-2H3/b6-3-,10-8+
InChIKeyMQYCFZJJZIUTFZ-SEPXKUGTSA-N
XLogP0.83
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide
CID 142987772
(E,2R)-2-(3-aminopropyl)-5-[methyliminomethyl(propyl)amino]pent-4-enoic acid
CID 142115117
N-ethenyl-N-heptyl-N'-methylmethanimidamide
CID 144548032
N-[(Z)-prop-1-enyl]-N-[(E)-prop-1-enyl]propan-1-amine
CID 45087803
N-butyl-N'-(3-methoxy-2-methylpropyl)-N-[(Z)-prop-1-enyl]methanimidamide
CID 121432265
(Z)-N-(3-aminopropyl)-N-methylbut-2-enamide
CID 143271127
1-(3-aminopropyl)-1,2-dimethylguanidine
CID 141013160
bis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride
CID 173033128
N-(3-aminopropyl)-N-methylnitrous amide
CID 169444802
[amino-[(Z)-prop-1-enyl]amino]methanamine
CID 146336863
N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine
CID 87642302
N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
CID 13307740

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide?
The IUPAC name of N-(3-aminopropyl)-N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide (CID 145189916) is N-(3-aminopropyl)-N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide.
What is the SMILES notation for N-(3-aminopropyl)-N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide?
The canonical SMILES for N-(3-aminopropyl)-N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide is C/C=C\N(/C=N/C)CCCN.
What is the InChIKey of N-(3-aminopropyl)-N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide?
The InChIKey is MQYCFZJJZIUTFZ-SEPXKUGTSA-N. The full InChI is InChI=1S/C8H17N3/c1-3-6-11(8-10-2)7-4-5-9/h3,6,8H,4-5,7,9H2,1-2H3/b6-3-,10-8+.
What are the key properties of N-(3-aminopropyl)-N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide?
N-(3-aminopropyl)-N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide has a molecular weight of 155.24 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide is sourced from PubChem (CID 145189916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).