3-methyl-5-[2-(propan-2-ylamino)ethylimino]cyclohex-3-en-1-amine

C12H23N3 — CID 123513563

IUPAC3-methyl-5-[2-(propan-2-ylamino)ethylimino]cyclohex-3-en-1-amine
SMILESCC1=C/C(=N\CCNC(C)C)CC(N)C1
InChIInChI=1S/C12H23N3/c1-9(2)14-4-5-15-12-7-10(3)6-11(13)8-12/h7,9,11,14H,4-6,8,13H2,1-3H3/b15-12+
InChIKeyWKFBBWWHEGCFNK-NTCAYCPXSA-N
MW209.34 g/mol
LogP1.49
Rot. Bonds4

About 3-methyl-5-[2-(propan-2-ylamino)ethylimino]cyclohex-3-en-1-amine

3-methyl-5-[2-(propan-2-ylamino)ethylimino]cyclohex-3-en-1-amine (PubChem CID 123513563) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-methyl-5-[2-(propan-2-ylamino)ethylimino]cyclohex-3-en-1-amine.

Molecular Properties

Compound Name3-methyl-5-[2-(propan-2-ylamino)ethylimino]cyclohex-3-en-1-amine
PubChem CID123513563
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-methyl-5-[2-(propan-2-ylamino)ethylimino]cyclohex-3-en-1-amine
SMILESCC1=C/C(=N\CCNC(C)C)CC(N)C1
InChIInChI=1S/C12H23N3/c1-9(2)14-4-5-15-12-7-10(3)6-11(13)8-12/h7,9,11,14H,4-6,8,13H2,1-3H3/b15-12+
InChIKeyWKFBBWWHEGCFNK-NTCAYCPXSA-N
XLogP1.49
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(cyclohexen-1-yl)propylideneamino]-N-[2-[1-(cyclohexen-1-yl)propylideneamino]ethyl]ethanamine
CID 18520353
[6-(3-Methylideneoctyl)-2,3-dihydropyridin-2-yl]methanamine
CID 91229717
1-N-ethyl-6-imino-8-methylnon-7-ene-1,5-diamine
CID 91539250
2-(cyclohex-2-en-1-ylideneamino)-N-methylethanamine
CID 123408588
1-(2,3-Dihydropyridin-6-yl)-5-methyloct-4-en-1-amine
CID 123499287
5-[2-(Ethylamino)ethylimino]-3-methylcyclohex-3-en-1-amine
CID 123522911
N-butyl-3-(3-methylidenehexan-2-ylideneamino)butan-2-amine
CID 123955239
N-[2-(5-methyl-2H-pyrrol-3-yl)ethyl]heptan-4-amine
CID 130217424
1-(3-amino-6-hexyl-2,3-dihydropyridin-4-yl)-N-methylpropane-1,3-diamine
CID 156302574
(1R,3Z)-3-ethylidene-2-methyliminocyclohexan-1-amine
CID 163564480
2-imino-3-(6-methylhept-6-enyl)-5-methylidene-N-propylcyclohex-3-en-1-amine
CID 163746263
4-(C,N-dimethylcarbonimidoyl)-N-(2-methylprop-2-enyl)cyclohex-3-en-1-amine
CID 163848992

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(propan-2-ylamino)ethylimino]cyclohex-3-en-1-amine?
The IUPAC name of 3-methyl-5-[2-(propan-2-ylamino)ethylimino]cyclohex-3-en-1-amine (CID 123513563) is 3-methyl-5-[2-(propan-2-ylamino)ethylimino]cyclohex-3-en-1-amine.
What is the SMILES notation for 3-methyl-5-[2-(propan-2-ylamino)ethylimino]cyclohex-3-en-1-amine?
The canonical SMILES for 3-methyl-5-[2-(propan-2-ylamino)ethylimino]cyclohex-3-en-1-amine is CC1=C/C(=N\CCNC(C)C)CC(N)C1.
What is the InChIKey of 3-methyl-5-[2-(propan-2-ylamino)ethylimino]cyclohex-3-en-1-amine?
The InChIKey is WKFBBWWHEGCFNK-NTCAYCPXSA-N. The full InChI is InChI=1S/C12H23N3/c1-9(2)14-4-5-15-12-7-10(3)6-11(13)8-12/h7,9,11,14H,4-6,8,13H2,1-3H3/b15-12+.
What are the key properties of 3-methyl-5-[2-(propan-2-ylamino)ethylimino]cyclohex-3-en-1-amine?
3-methyl-5-[2-(propan-2-ylamino)ethylimino]cyclohex-3-en-1-amine has a molecular weight of 209.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(propan-2-ylamino)ethylimino]cyclohex-3-en-1-amine is sourced from PubChem (CID 123513563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).