N'-[ethyl-[(Z)-pent-2-en-3-yl]amino]methanimidamide

C8H17N3 — CID 130247456

IUPACN'-[ethyl-[(Z)-pent-2-en-3-yl]amino]methanimidamide
SMILESC/C=C(/CC)N(CC)/N=C\N
InChIInChI=1S/C8H17N3/c1-4-8(5-2)11(6-3)10-7-9/h4,7H,5-6H2,1-3H3,(H2,9,10)/b8-4-
InChIKeyRTZGAQYQZNKMFK-YWEYNIOJSA-N
MW155.25 g/mol
LogP1.52
Rot. Bonds4

About N'-[ethyl-[(Z)-pent-2-en-3-yl]amino]methanimidamide

N'-[ethyl-[(Z)-pent-2-en-3-yl]amino]methanimidamide (PubChem CID 130247456) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is N'-[ethyl-[(Z)-pent-2-en-3-yl]amino]methanimidamide.

Molecular Properties

Compound NameN'-[ethyl-[(Z)-pent-2-en-3-yl]amino]methanimidamide
PubChem CID130247456
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC NameN'-[ethyl-[(Z)-pent-2-en-3-yl]amino]methanimidamide
SMILESC/C=C(/CC)N(CC)/N=C\N
InChIInChI=1S/C8H17N3/c1-4-8(5-2)11(6-3)10-7-9/h4,7H,5-6H2,1-3H3,(H2,9,10)/b8-4-
InChIKeyRTZGAQYQZNKMFK-YWEYNIOJSA-N
XLogP1.52
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 51.52
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-1-(ethylideneamino)thiourea
CID 88775197
N-but-1-enyl-N-ethylpent-2-en-3-amine
CID 123927665
N'-[(Z)-hex-2-en-2-yl]methanimidamide
CID 118151912
N,N-diethylhex-2-en-3-amine
CID 76766203
ethane;2-[ethyl-[(Z)-prop-2-enylideneamino]amino]acetic acid
CID 143604684
N'-[(Z)-2-methylbut-1-enyl]methanimidamide
CID 142915722
1-ethyl-1-nitrosourea
CID 159023173
N-methyl-N-[(E)-prop-2-enylideneamino]ethanamine
CID 90211188
2-[[2-[[(E)-1-aminobut-1-en-2-yl]-(methylideneamino)amino]acetyl]-cyclopropylamino]acetic acid
CID 161284878
(E)-2-N-ethyl-1-N,2-N-dimethylbut-1-ene-1,2-diamine
CID 163252486
N-ethyl-N-[(Z)-[(E)-2-methylbut-2-enylidene]amino]ethanamine
CID 5365297
ethyl N-butyl-N-[(E)-ethylideneamino]carbamate
CID 130340573

Frequently Asked Questions

What is the IUPAC name of N'-[ethyl-[(Z)-pent-2-en-3-yl]amino]methanimidamide?
The IUPAC name of N'-[ethyl-[(Z)-pent-2-en-3-yl]amino]methanimidamide (CID 130247456) is N'-[ethyl-[(Z)-pent-2-en-3-yl]amino]methanimidamide.
What is the SMILES notation for N'-[ethyl-[(Z)-pent-2-en-3-yl]amino]methanimidamide?
The canonical SMILES for N'-[ethyl-[(Z)-pent-2-en-3-yl]amino]methanimidamide is C/C=C(/CC)N(CC)/N=C\N.
What is the InChIKey of N'-[ethyl-[(Z)-pent-2-en-3-yl]amino]methanimidamide?
The InChIKey is RTZGAQYQZNKMFK-YWEYNIOJSA-N. The full InChI is InChI=1S/C8H17N3/c1-4-8(5-2)11(6-3)10-7-9/h4,7H,5-6H2,1-3H3,(H2,9,10)/b8-4-.
What are the key properties of N'-[ethyl-[(Z)-pent-2-en-3-yl]amino]methanimidamide?
N'-[ethyl-[(Z)-pent-2-en-3-yl]amino]methanimidamide has a molecular weight of 155.25 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[ethyl-[(Z)-pent-2-en-3-yl]amino]methanimidamide is sourced from PubChem (CID 130247456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).