N-[(E)-4-amino-3-methylbut-3-en-2-ylidene]methanimidamide

C6H11N3 — CID 118973077

IUPACN-[(E)-4-amino-3-methylbut-3-en-2-ylidene]methanimidamide
SMILES[H]/N=C/N=C(C)/C(C)=C/N
InChIInChI=1S/C6H11N3/c1-5(3-7)6(2)9-4-8/h3-4,8H,7H2,1-2H3/b5-3+,8-4+,9-6+
InChIKeyCDIFQBWEVFIHQY-UVMBBVGVSA-N
MW125.17 g/mol
LogP0.92
Rot. Bonds2

About N-[(E)-4-amino-3-methylbut-3-en-2-ylidene]methanimidamide

N-[(E)-4-amino-3-methylbut-3-en-2-ylidene]methanimidamide (PubChem CID 118973077) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N-[(E)-4-amino-3-methylbut-3-en-2-ylidene]methanimidamide.

Molecular Properties

Compound NameN-[(E)-4-amino-3-methylbut-3-en-2-ylidene]methanimidamide
PubChem CID118973077
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN-[(E)-4-amino-3-methylbut-3-en-2-ylidene]methanimidamide
SMILES[H]/N=C/N=C(C)/C(C)=C/N
InChIInChI=1S/C6H11N3/c1-5(3-7)6(2)9-4-8/h3-4,8H,7H2,1-2H3/b5-3+,8-4+,9-6+
InChIKeyCDIFQBWEVFIHQY-UVMBBVGVSA-N
XLogP0.92
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.92
H-Bond Donors ≤ 52
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

(Z)-3-ethenylimino-2-methylbut-1-en-1-amine
CID 88056730
(E)-2-methyl-3-methyliminobut-1-en-1-amine
CID 88882934
N-(3-methylbut-3-en-2-ylidene)methanimidamide
CID 90127063
N-[(1E,4Z)-1-amino-2-methylhexa-1,4-dien-3-ylidene]methanimidamide
CID 90452898
N-[(1E)-1-amino-2-methylpenta-1,4-dien-3-ylidene]methanimidamide
CID 90453946
3-methyl-4-N-propan-2-ylidenebut-3-ene-2,4-diimine
CID 90796579
2-N,3-dimethyl-4-N-methylidenebut-3-ene-2,4-diimine
CID 90919432
4-N-ethylidene-3-methylbut-3-ene-2,4-diimine
CID 91293252
(Z)-2-N,3-dimethyl-4-N-methylidenebut-3-ene-2,4-diimine
CID 123609855
(Z)-3-imino-2-methylbut-1-en-1-amine
CID 141884153
2-Methyl-3-methyliminobut-1-en-1-amine
CID 143096692
ethane;(Z)-2-methyl-3-methyliminobut-1-en-1-amine
CID 143517808

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-amino-3-methylbut-3-en-2-ylidene]methanimidamide?
The IUPAC name of N-[(E)-4-amino-3-methylbut-3-en-2-ylidene]methanimidamide (CID 118973077) is N-[(E)-4-amino-3-methylbut-3-en-2-ylidene]methanimidamide.
What is the SMILES notation for N-[(E)-4-amino-3-methylbut-3-en-2-ylidene]methanimidamide?
The canonical SMILES for N-[(E)-4-amino-3-methylbut-3-en-2-ylidene]methanimidamide is [H]/N=C/N=C(C)/C(C)=C/N.
What is the InChIKey of N-[(E)-4-amino-3-methylbut-3-en-2-ylidene]methanimidamide?
The InChIKey is CDIFQBWEVFIHQY-UVMBBVGVSA-N. The full InChI is InChI=1S/C6H11N3/c1-5(3-7)6(2)9-4-8/h3-4,8H,7H2,1-2H3/b5-3+,8-4+,9-6+.
What are the key properties of N-[(E)-4-amino-3-methylbut-3-en-2-ylidene]methanimidamide?
N-[(E)-4-amino-3-methylbut-3-en-2-ylidene]methanimidamide has a molecular weight of 125.17 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-amino-3-methylbut-3-en-2-ylidene]methanimidamide is sourced from PubChem (CID 118973077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).