N,N-dimethyl-N'-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]methanimidamide

C10H17N3 — CID 123604997

IUPACN,N-dimethyl-N'-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]methanimidamide
SMILESC=C(N=CN(C)C)N=C(C)/C=C\C
InChIInChI=1S/C10H17N3/c1-6-7-9(2)12-10(3)11-8-13(4)5/h6-8H,3H2,1-2,4-5H3/b7-6-,11-8?,12-9?
InChIKeyVJHVTDDSEBEJTG-LQOBZPHASA-N
MW179.27 g/mol
LogP2.08
Rot. Bonds4

About N,N-dimethyl-N'-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]methanimidamide

N,N-dimethyl-N'-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]methanimidamide (PubChem CID 123604997) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N,N-dimethyl-N'-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]methanimidamide
PubChem CID123604997
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN,N-dimethyl-N'-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]methanimidamide
SMILESC=C(N=CN(C)C)N=C(C)/C=C\C
InChIInChI=1S/C10H17N3/c1-6-7-9(2)12-10(3)11-8-13(4)5/h6-8H,3H2,1-2,4-5H3/b7-6-,11-8?,12-9?
InChIKeyVJHVTDDSEBEJTG-LQOBZPHASA-N
XLogP2.08
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
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

ethenyl-methyl-[[methyl-[(3Z)-5-methyliminohexa-1,3-dien-2-yl]amino]methylidene]azanium
CID 123841316
ethane;N'-methyl-N-[(Z)-pent-3-en-2-ylidene]methanimidamide
CID 144284350
N-[(Z)-pent-3-en-2-ylidene]-N'-[(E)-prop-1-enyl]methanimidamide
CID 145644182
N'-[(E)-hex-3-en-3-yl]-N,N-dimethylmethanimidamide
CID 146510058
N-methyl-N-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]prop-1-en-2-amine
CID 174371339
N-[(Z)-but-1-enyl]-N'-[(E)-hex-3-en-3-yl]-N-methylmethanimidamide
CID 175628837
(2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine
CID 143342843

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]methanimidamide?
The IUPAC name of N,N-dimethyl-N'-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]methanimidamide (CID 123604997) is N,N-dimethyl-N'-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]methanimidamide is C=C(N=CN(C)C)N=C(C)/C=C\C.
What is the InChIKey of N,N-dimethyl-N'-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]methanimidamide?
The InChIKey is VJHVTDDSEBEJTG-LQOBZPHASA-N. The full InChI is InChI=1S/C10H17N3/c1-6-7-9(2)12-10(3)11-8-13(4)5/h6-8H,3H2,1-2,4-5H3/b7-6-,11-8?,12-9?.
What are the key properties of N,N-dimethyl-N'-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]methanimidamide?
N,N-dimethyl-N'-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]methanimidamide has a molecular weight of 179.27 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]methanimidamide is sourced from PubChem (CID 123604997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).