1-imino-N,7-dimethyl-4-methylideneoct-6-en-2-amine

C11H20N2 — CID 123641838

IUPAC1-imino-N,7-dimethyl-4-methylideneoct-6-en-2-amine
SMILES[H]/N=C/C(CC(=C)CC=C(C)C)NC
InChIInChI=1S/C11H20N2/c1-9(2)5-6-10(3)7-11(8-12)13-4/h5,8,11-13H,3,6-7H2,1-2,4H3/b12-8+
InChIKeyJZPWLVIBWSABKO-XYOKQWHBSA-N
MW180.29 g/mol
LogP2.53
Rot. Bonds6

About 1-imino-N,7-dimethyl-4-methylideneoct-6-en-2-amine

1-imino-N,7-dimethyl-4-methylideneoct-6-en-2-amine (PubChem CID 123641838) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-imino-N,7-dimethyl-4-methylideneoct-6-en-2-amine.

Molecular Properties

Compound Name1-imino-N,7-dimethyl-4-methylideneoct-6-en-2-amine
PubChem CID123641838
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-imino-N,7-dimethyl-4-methylideneoct-6-en-2-amine
SMILES[H]/N=C/C(CC(=C)CC=C(C)C)NC
InChIInChI=1S/C11H20N2/c1-9(2)5-6-10(3)7-11(8-12)13-4/h5,8,11-13H,3,6-7H2,1-2,4H3/b12-8+
InChIKeyJZPWLVIBWSABKO-XYOKQWHBSA-N
XLogP2.53
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-(3-imino-2-methylpropyl)cyclohex-3-en-1-amine
CID 123191906
N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine
CID 89030889
3-(1-iminopropan-2-ylidene)-N,4-dimethyloct-4-en-2-amine
CID 90968257
1-N-ethyl-6-imino-8-methylnon-7-ene-1,5-diamine
CID 91539250
1-imino-N-methylhept-5-en-2-amine
CID 123138426
N-(1-butan-2-yliminopropan-2-yl)hept-5-en-1-amine
CID 123147884
N,5-dimethylhept-5-en-2-amine
CID 123172071
(E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine
CID 123193034
3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine
CID 123487173
3-(2,3-dihydropyridin-4-yl)-N-methylpropan-1-amine
CID 123947708
(1Z,2E,8E)-N-cyclopropyl-8-methyl-4,5,6,7-tetrahydrodiazecin-6-amine
CID 129300667
(3S)-N-(2-iminoethyl)-5-methylhex-4-en-3-amine
CID 130320077

Frequently Asked Questions

What is the IUPAC name of 1-imino-N,7-dimethyl-4-methylideneoct-6-en-2-amine?
The IUPAC name of 1-imino-N,7-dimethyl-4-methylideneoct-6-en-2-amine (CID 123641838) is 1-imino-N,7-dimethyl-4-methylideneoct-6-en-2-amine.
What is the SMILES notation for 1-imino-N,7-dimethyl-4-methylideneoct-6-en-2-amine?
The canonical SMILES for 1-imino-N,7-dimethyl-4-methylideneoct-6-en-2-amine is [H]/N=C/C(CC(=C)CC=C(C)C)NC.
What is the InChIKey of 1-imino-N,7-dimethyl-4-methylideneoct-6-en-2-amine?
The InChIKey is JZPWLVIBWSABKO-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H20N2/c1-9(2)5-6-10(3)7-11(8-12)13-4/h5,8,11-13H,3,6-7H2,1-2,4H3/b12-8+.
What are the key properties of 1-imino-N,7-dimethyl-4-methylideneoct-6-en-2-amine?
1-imino-N,7-dimethyl-4-methylideneoct-6-en-2-amine has a molecular weight of 180.29 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imino-N,7-dimethyl-4-methylideneoct-6-en-2-amine is sourced from PubChem (CID 123641838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).