1,1-dimethyl-2-(N'-prop-2-enylcarbamimidoyl)guanidine

C7H15N5 — CID 21027221

IUPAC1,1-dimethyl-2-(N'-prop-2-enylcarbamimidoyl)guanidine
SMILESC=CC/N=C(N)/N=C(/N)N(C)C
InChIInChI=1S/C7H15N5/c1-4-5-10-6(8)11-7(9)12(2)3/h4H,1,5H2,2-3H3,(H4,8,9,10,11)
InChIKeyDATIWGQAMBSNBK-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.64
Rot. Bonds2

About 1,1-dimethyl-2-(N'-prop-2-enylcarbamimidoyl)guanidine

1,1-dimethyl-2-(N'-prop-2-enylcarbamimidoyl)guanidine (PubChem CID 21027221) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is 1,1-dimethyl-2-(N'-prop-2-enylcarbamimidoyl)guanidine.

Molecular Properties

Compound Name1,1-dimethyl-2-(N'-prop-2-enylcarbamimidoyl)guanidine
PubChem CID21027221
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC Name1,1-dimethyl-2-(N'-prop-2-enylcarbamimidoyl)guanidine
SMILESC=CC/N=C(N)/N=C(/N)N(C)C
InChIInChI=1S/C7H15N5/c1-4-5-10-6(8)11-7(9)12(2)3/h4H,1,5H2,2-3H3,(H4,8,9,10,11)
InChIKeyDATIWGQAMBSNBK-UHFFFAOYSA-N
XLogP-0.64
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Allyl-biguanid
CID 4650633
N-Methyl-dihydro-iminopyrimidine
CID 18428588
1-prop-2-enyl-2H-1,3,5-triazine-2,4,6-triamine
CID 19871397
1-Cyano-1,2-bis(prop-2-enyl)guanidine
CID 20026812
1-(Diaminomethylidene)-2-methyl-3-prop-2-enylguanidine
CID 21534138
3-(Diaminomethylidene)-1,2-dimethyl-1-prop-2-enylguanidine
CID 22915573
1,1-dimethyl-2-(N'-prop-2-enylcarbamimidoyl)guanidine
CID 58619955
1,1-dimethyl-2-(N'-prop-2-enylcarbamimidoyl)guanidine
CID 73734531
N,N-dimethyl-N'-prop-2-enylmethanimidamide
CID 85868011
1,2-Dimethyl-1-prop-2-enylguanidine
CID 87610571
1,1-Dimethyl-2-prop-2-enylguanidine
CID 88030050
1-Cyano-2-prop-2-enylguanidine
CID 88079587

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-(N'-prop-2-enylcarbamimidoyl)guanidine?
The IUPAC name of 1,1-dimethyl-2-(N'-prop-2-enylcarbamimidoyl)guanidine (CID 21027221) is 1,1-dimethyl-2-(N'-prop-2-enylcarbamimidoyl)guanidine.
What is the SMILES notation for 1,1-dimethyl-2-(N'-prop-2-enylcarbamimidoyl)guanidine?
The canonical SMILES for 1,1-dimethyl-2-(N'-prop-2-enylcarbamimidoyl)guanidine is C=CC/N=C(N)/N=C(/N)N(C)C.
What is the InChIKey of 1,1-dimethyl-2-(N'-prop-2-enylcarbamimidoyl)guanidine?
The InChIKey is DATIWGQAMBSNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c1-4-5-10-6(8)11-7(9)12(2)3/h4H,1,5H2,2-3H3,(H4,8,9,10,11).
What are the key properties of 1,1-dimethyl-2-(N'-prop-2-enylcarbamimidoyl)guanidine?
1,1-dimethyl-2-(N'-prop-2-enylcarbamimidoyl)guanidine has a molecular weight of 169.23 g/mol, XLogP of -0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-(N'-prop-2-enylcarbamimidoyl)guanidine is sourced from PubChem (CID 21027221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).