N-(2-iminopropylidene)cycloheptanecarboximidamide

C11H19N3 — CID 155056687

IUPACN-(2-iminopropylidene)cycloheptanecarboximidamide
SMILES[H]/N=C(\N=C\C(C)=N\[H])C1CCCCCC1
InChIInChI=1S/C11H19N3/c1-9(12)8-14-11(13)10-6-4-2-3-5-7-10/h8,10,12-13H,2-7H2,1H3/b12-9+,13-11-,14-8+
InChIKeyPVAXUJCMPLEWTA-BUSFXVQLSA-N
MW193.29 g/mol
LogP3.04
Rot. Bonds2

About N-(2-iminopropylidene)cycloheptanecarboximidamide

N-(2-iminopropylidene)cycloheptanecarboximidamide (PubChem CID 155056687) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(2-iminopropylidene)cycloheptanecarboximidamide.

Molecular Properties

Compound NameN-(2-iminopropylidene)cycloheptanecarboximidamide
PubChem CID155056687
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-(2-iminopropylidene)cycloheptanecarboximidamide
SMILES[H]/N=C(\N=C\C(C)=N\[H])C1CCCCCC1
InChIInChI=1S/C11H19N3/c1-9(12)8-14-11(13)10-6-4-2-3-5-7-10/h8,10,12-13H,2-7H2,1H3/b12-9+,13-11-,14-8+
InChIKeyPVAXUJCMPLEWTA-BUSFXVQLSA-N
XLogP3.04
TPSA60.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.04
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

cyclopentanamine;(1Z)-1-(2-iminopropylidene)guanidine
CID 171101243
1-cyclooctylethanimine
CID 142132470
1-N-(1-cyclopropylethyl)propane-1,2-diimine
CID 123669963
1-cyclohexylethanethione
CID 13294348
N-cyclopentyl-N-methylethanimidamide
CID 63173127
[(E)-1-bromoprop-1-en-2-yl]cyclohexane
CID 87467219
1-N-methylsulfanylpropane-1,2-diimine
CID 123518003
(Z)-4-cyclopentyl-4-imino-3-methylbut-2-en-2-amine
CID 143075672
1-cyclopentylethane-1,2-diimine
CID 154539742
4-methylpenta-1,3-dien-2-ylcyclohexane
CID 145299329
1-cyclohexyl-3-methylbutan-1-imine
CID 129070269
cyclohexyl-tri(propan-2-yl)silylmethanimine
CID 102329656

Frequently Asked Questions

What is the IUPAC name of N-(2-iminopropylidene)cycloheptanecarboximidamide?
The IUPAC name of N-(2-iminopropylidene)cycloheptanecarboximidamide (CID 155056687) is N-(2-iminopropylidene)cycloheptanecarboximidamide.
What is the SMILES notation for N-(2-iminopropylidene)cycloheptanecarboximidamide?
The canonical SMILES for N-(2-iminopropylidene)cycloheptanecarboximidamide is [H]/N=C(\N=C\C(C)=N\[H])C1CCCCCC1.
What is the InChIKey of N-(2-iminopropylidene)cycloheptanecarboximidamide?
The InChIKey is PVAXUJCMPLEWTA-BUSFXVQLSA-N. The full InChI is InChI=1S/C11H19N3/c1-9(12)8-14-11(13)10-6-4-2-3-5-7-10/h8,10,12-13H,2-7H2,1H3/b12-9+,13-11-,14-8+.
What are the key properties of N-(2-iminopropylidene)cycloheptanecarboximidamide?
N-(2-iminopropylidene)cycloheptanecarboximidamide has a molecular weight of 193.29 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iminopropylidene)cycloheptanecarboximidamide is sourced from PubChem (CID 155056687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).