2-amino-N'-cyclopropyl-N-prop-1-en-2-ylcyclopentene-1-carboximidamide

C12H19N3 — CID 163898136

IUPAC2-amino-N'-cyclopropyl-N-prop-1-en-2-ylcyclopentene-1-carboximidamide
SMILESC=C(C)N/C(=N\C1CC1)C1=C(N)CCC1
InChIInChI=1S/C12H19N3/c1-8(2)14-12(15-9-6-7-9)10-4-3-5-11(10)13/h9H,1,3-7,13H2,2H3,(H,14,15)
InChIKeyQHLVYKHFGBOQRR-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.07
Rot. Bonds3

About 2-amino-N'-cyclopropyl-N-prop-1-en-2-ylcyclopentene-1-carboximidamide

2-amino-N'-cyclopropyl-N-prop-1-en-2-ylcyclopentene-1-carboximidamide (PubChem CID 163898136) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-amino-N'-cyclopropyl-N-prop-1-en-2-ylcyclopentene-1-carboximidamide.

Molecular Properties

Compound Name2-amino-N'-cyclopropyl-N-prop-1-en-2-ylcyclopentene-1-carboximidamide
PubChem CID163898136
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name2-amino-N'-cyclopropyl-N-prop-1-en-2-ylcyclopentene-1-carboximidamide
SMILESC=C(C)N/C(=N\C1CC1)C1=C(N)CCC1
InChIInChI=1S/C12H19N3/c1-8(2)14-12(15-9-6-7-9)10-4-3-5-11(10)13/h9H,1,3-7,13H2,2H3,(H,14,15)
InChIKeyQHLVYKHFGBOQRR-UHFFFAOYSA-N
XLogP2.07
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.07
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

(4R)-6-methyl-2-[(E)-pent-2-en-3-yl]-4-prop-2-enyl-1,4-dihydropyrimidine
CID 129208626
ethane;3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine
CID 143997703
5-methyl-N-pent-1-en-2-yl-2,3-dihydropyridin-6-amine
CID 146416395
(7E)-N-but-1-en-2-yl-7-ethylidene-3,4,5,6-tetrahydro-2H-azocin-8-amine
CID 164103271
ethane;5-methylidene-N-prop-1-en-2-yl-3,4-dihydro-2H-pyridin-6-amine
CID 165133724
N-[(Z)-but-2-en-2-yl]-5-methylidene-3,4-dihydro-2H-pyridin-6-amine;ethane
CID 170582294
N'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide
CID 144818248
(5E)-N'-butyl-5-methyl-N-prop-1-en-2-yl-1,2,3,4,7,8-hexahydroazocine-6-carboximidamide
CID 145481650
N-[(Z)-but-2-en-2-yl]-5-methylidene-3,4-dihydro-2H-pyridin-6-amine
CID 170582295

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-cyclopropyl-N-prop-1-en-2-ylcyclopentene-1-carboximidamide?
The IUPAC name of 2-amino-N'-cyclopropyl-N-prop-1-en-2-ylcyclopentene-1-carboximidamide (CID 163898136) is 2-amino-N'-cyclopropyl-N-prop-1-en-2-ylcyclopentene-1-carboximidamide.
What is the SMILES notation for 2-amino-N'-cyclopropyl-N-prop-1-en-2-ylcyclopentene-1-carboximidamide?
The canonical SMILES for 2-amino-N'-cyclopropyl-N-prop-1-en-2-ylcyclopentene-1-carboximidamide is C=C(C)N/C(=N\C1CC1)C1=C(N)CCC1.
What is the InChIKey of 2-amino-N'-cyclopropyl-N-prop-1-en-2-ylcyclopentene-1-carboximidamide?
The InChIKey is QHLVYKHFGBOQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-8(2)14-12(15-9-6-7-9)10-4-3-5-11(10)13/h9H,1,3-7,13H2,2H3,(H,14,15).
What are the key properties of 2-amino-N'-cyclopropyl-N-prop-1-en-2-ylcyclopentene-1-carboximidamide?
2-amino-N'-cyclopropyl-N-prop-1-en-2-ylcyclopentene-1-carboximidamide has a molecular weight of 205.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-cyclopropyl-N-prop-1-en-2-ylcyclopentene-1-carboximidamide is sourced from PubChem (CID 163898136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).