2-amino-N'-cyclopropylcyclohexene-1-carboximidamide

C10H17N3 — CID 142514393

IUPAC2-amino-N'-cyclopropylcyclohexene-1-carboximidamide
SMILESNC1=C(/C(N)=N/C2CC2)CCCC1
InChIInChI=1S/C10H17N3/c11-9-4-2-1-3-8(9)10(12)13-7-5-6-7/h7H,1-6,11H2,(H2,12,13)
InChIKeySHLZIZDNKGGJCA-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.29
Rot. Bonds2

About 2-amino-N'-cyclopropylcyclohexene-1-carboximidamide

2-amino-N'-cyclopropylcyclohexene-1-carboximidamide (PubChem CID 142514393) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-amino-N'-cyclopropylcyclohexene-1-carboximidamide.

Molecular Properties

Compound Name2-amino-N'-cyclopropylcyclohexene-1-carboximidamide
PubChem CID142514393
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-amino-N'-cyclopropylcyclohexene-1-carboximidamide
SMILESNC1=C(/C(N)=N/C2CC2)CCCC1
InChIInChI=1S/C10H17N3/c11-9-4-2-1-3-8(9)10(12)13-7-5-6-7/h7H,1-6,11H2,(H2,12,13)
InChIKeySHLZIZDNKGGJCA-UHFFFAOYSA-N
XLogP1.29
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.29
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-cyclopropylcyclohexene-1-carboximidamide?
The IUPAC name of 2-amino-N'-cyclopropylcyclohexene-1-carboximidamide (CID 142514393) is 2-amino-N'-cyclopropylcyclohexene-1-carboximidamide.
What is the SMILES notation for 2-amino-N'-cyclopropylcyclohexene-1-carboximidamide?
The canonical SMILES for 2-amino-N'-cyclopropylcyclohexene-1-carboximidamide is NC1=C(/C(N)=N/C2CC2)CCCC1.
What is the InChIKey of 2-amino-N'-cyclopropylcyclohexene-1-carboximidamide?
The InChIKey is SHLZIZDNKGGJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c11-9-4-2-1-3-8(9)10(12)13-7-5-6-7/h7H,1-6,11H2,(H2,12,13).
What are the key properties of 2-amino-N'-cyclopropylcyclohexene-1-carboximidamide?
2-amino-N'-cyclopropylcyclohexene-1-carboximidamide has a molecular weight of 179.27 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-cyclopropylcyclohexene-1-carboximidamide is sourced from PubChem (CID 142514393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).