2-[(Z)-1-amino-1-(4-methyl-2,3-dihydro-1H-inden-5-yl)prop-1-en-2-yl]guanidine

C14H20N4 — CID 174267752

IUPAC2-[(Z)-1-amino-1-(4-methyl-2,3-dihydro-1H-inden-5-yl)prop-1-en-2-yl]guanidine
SMILESC/C(N=C(N)N)=C(/N)c1ccc2c(c1C)CCC2
InChIInChI=1S/C14H20N4/c1-8-11-5-3-4-10(11)6-7-12(8)13(15)9(2)18-14(16)17/h6-7H,3-5,15H2,1-2H3,(H4,16,17,18)/b13-9-
InChIKeyKJLNELJXHNYPRH-LCYFTJDESA-N
MW244.34 g/mol
LogP1.40
Rot. Bonds2

About 2-[(Z)-1-amino-1-(4-methyl-2,3-dihydro-1H-inden-5-yl)prop-1-en-2-yl]guanidine

2-[(Z)-1-amino-1-(4-methyl-2,3-dihydro-1H-inden-5-yl)prop-1-en-2-yl]guanidine (PubChem CID 174267752) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[(Z)-1-amino-1-(4-methyl-2,3-dihydro-1H-inden-5-yl)prop-1-en-2-yl]guanidine.

Molecular Properties

Compound Name2-[(Z)-1-amino-1-(4-methyl-2,3-dihydro-1H-inden-5-yl)prop-1-en-2-yl]guanidine
PubChem CID174267752
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-[(Z)-1-amino-1-(4-methyl-2,3-dihydro-1H-inden-5-yl)prop-1-en-2-yl]guanidine
SMILESC/C(N=C(N)N)=C(/N)c1ccc2c(c1C)CCC2
InChIInChI=1S/C14H20N4/c1-8-11-5-3-4-10(11)6-7-12(8)13(15)9(2)18-14(16)17/h6-7H,3-5,15H2,1-2H3,(H4,16,17,18)/b13-9-
InChIKeyKJLNELJXHNYPRH-LCYFTJDESA-N
XLogP1.40
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.40
H-Bond Donors ≤ 53
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

1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 22993784
3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 91587374
3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;ethane
CID 91587373
2-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-oxo-N-piperidin-1-ylacetamide
CID 175802407
bicyclo[5.3.1]undeca-1(11),7,9-triene-8,11-dicarboxamide
CID 155661871
2,3-dihydro-1H-indene-4,5-dicarboxylic acid
CID 22035348
1-(5-methyl-2,3-dihydro-1H-inden-4-yl)ethanone
CID 13406383
1-(3,6-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanone
CID 118681307
bicyclo[12.4.0]octadeca-1(18),14,16-triene-15,18-dicarboxamide
CID 54033082
5-cyclobutyl-4-methyl-2,3-dihydro-1H-indene
CID 156857499
(4-methyl-2,3-dihydro-1H-inden-5-yl) trifluoromethanesulfonate
CID 143804560
9,10-dimethylbicyclo[6.2.2]dodeca-1(10),8,11-triene
CID 15321172

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-amino-1-(4-methyl-2,3-dihydro-1H-inden-5-yl)prop-1-en-2-yl]guanidine?
The IUPAC name of 2-[(Z)-1-amino-1-(4-methyl-2,3-dihydro-1H-inden-5-yl)prop-1-en-2-yl]guanidine (CID 174267752) is 2-[(Z)-1-amino-1-(4-methyl-2,3-dihydro-1H-inden-5-yl)prop-1-en-2-yl]guanidine.
What is the SMILES notation for 2-[(Z)-1-amino-1-(4-methyl-2,3-dihydro-1H-inden-5-yl)prop-1-en-2-yl]guanidine?
The canonical SMILES for 2-[(Z)-1-amino-1-(4-methyl-2,3-dihydro-1H-inden-5-yl)prop-1-en-2-yl]guanidine is C/C(N=C(N)N)=C(/N)c1ccc2c(c1C)CCC2.
What is the InChIKey of 2-[(Z)-1-amino-1-(4-methyl-2,3-dihydro-1H-inden-5-yl)prop-1-en-2-yl]guanidine?
The InChIKey is KJLNELJXHNYPRH-LCYFTJDESA-N. The full InChI is InChI=1S/C14H20N4/c1-8-11-5-3-4-10(11)6-7-12(8)13(15)9(2)18-14(16)17/h6-7H,3-5,15H2,1-2H3,(H4,16,17,18)/b13-9-.
What are the key properties of 2-[(Z)-1-amino-1-(4-methyl-2,3-dihydro-1H-inden-5-yl)prop-1-en-2-yl]guanidine?
2-[(Z)-1-amino-1-(4-methyl-2,3-dihydro-1H-inden-5-yl)prop-1-en-2-yl]guanidine has a molecular weight of 244.34 g/mol, XLogP of 1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-amino-1-(4-methyl-2,3-dihydro-1H-inden-5-yl)prop-1-en-2-yl]guanidine is sourced from PubChem (CID 174267752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).