(1R)-4-imino-5-methanidyl-N-methylcyclohex-2-en-1-amine

C8H13N2- — CID 143718907

IUPAC(1R)-4-imino-5-methanidyl-N-methylcyclohex-2-en-1-amine
SMILES[H]/N=C1\C=C[C@H](NC)CC1[CH2-]
InChIInChI=1S/C8H13N2/c1-6-5-7(10-2)3-4-8(6)9/h3-4,6-7,9-10H,1,5H2,2H3/q-1/b9-8+/t6?,7-/m0/s1
InChIKeyIADXSDLNNWUAQN-XSCIZXKVSA-N
MW137.21 g/mol
LogP1.00
Rot. Bonds1

About (1R)-4-imino-5-methanidyl-N-methylcyclohex-2-en-1-amine

(1R)-4-imino-5-methanidyl-N-methylcyclohex-2-en-1-amine (PubChem CID 143718907) has the molecular formula C8H13N2- and a molecular weight of 137.21 g/mol. Its IUPAC name is (1R)-4-imino-5-methanidyl-N-methylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name(1R)-4-imino-5-methanidyl-N-methylcyclohex-2-en-1-amine
PubChem CID143718907
Molecular FormulaC8H13N2-
Molecular Weight137.21 g/mol
Exact Mass137.11
IUPAC Name(1R)-4-imino-5-methanidyl-N-methylcyclohex-2-en-1-amine
SMILES[H]/N=C1\C=C[C@H](NC)CC1[CH2-]
InChIInChI=1S/C8H13N2/c1-6-5-7(10-2)3-4-8(6)9/h3-4,6-7,9-10H,1,5H2,2H3/q-1/b9-8+/t6?,7-/m0/s1
InChIKeyIADXSDLNNWUAQN-XSCIZXKVSA-N
XLogP1.00
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,3,4,4a,5,6-Hexahydroquinazoline
CID 53696514
6-Piperidin-4-yl-2,5-dihydropyridine
CID 57184087
N,6-dimethylcyclohex-2-en-1-amine
CID 58247677
N,4-dimethylcyclohex-2-en-1-amine
CID 89192431
3-but-2-enyl-7-imino-N,6-dimethyloct-3-en-1-amine
CID 90691312
4a,5,6,7,8,9-hexahydro-2H-pyrido[3,2-c]azepine
CID 91003316
N-methyl-1-[6-[(Z)-3-methylidene-6-methyliminohept-4-en-2-yl]cyclohexa-1,5-dien-1-yl]ethanamine
CID 91045781
1-(6-ethyl-4,4-dimethyl-2,3,6,7-tetrahydrocyclohepta[b]pyridin-7-yl)-N-methylethanamine
CID 91470543
6-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91582344
4-Imino-5,6-dimethylcyclohex-2-en-1-amine
CID 123143860
1-(5-Imino-6-methylcyclohex-3-en-1-yl)ethanamine
CID 123217836
(4-Propyliminocyclohex-2-en-1-yl)methanamine
CID 123339384

Frequently Asked Questions

What is the IUPAC name of (1R)-4-imino-5-methanidyl-N-methylcyclohex-2-en-1-amine?
The IUPAC name of (1R)-4-imino-5-methanidyl-N-methylcyclohex-2-en-1-amine (CID 143718907) is (1R)-4-imino-5-methanidyl-N-methylcyclohex-2-en-1-amine.
What is the SMILES notation for (1R)-4-imino-5-methanidyl-N-methylcyclohex-2-en-1-amine?
The canonical SMILES for (1R)-4-imino-5-methanidyl-N-methylcyclohex-2-en-1-amine is [H]/N=C1\C=C[C@H](NC)CC1[CH2-].
What is the InChIKey of (1R)-4-imino-5-methanidyl-N-methylcyclohex-2-en-1-amine?
The InChIKey is IADXSDLNNWUAQN-XSCIZXKVSA-N. The full InChI is InChI=1S/C8H13N2/c1-6-5-7(10-2)3-4-8(6)9/h3-4,6-7,9-10H,1,5H2,2H3/q-1/b9-8+/t6?,7-/m0/s1.
What are the key properties of (1R)-4-imino-5-methanidyl-N-methylcyclohex-2-en-1-amine?
(1R)-4-imino-5-methanidyl-N-methylcyclohex-2-en-1-amine has a molecular weight of 137.21 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-imino-5-methanidyl-N-methylcyclohex-2-en-1-amine is sourced from PubChem (CID 143718907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).