3-methanimidoyl-5-methyloct-5-en-1-amine

C10H20N2 — CID 123629211

IUPAC3-methanimidoyl-5-methyloct-5-en-1-amine
SMILES[H]/N=C/C(CCN)CC(C)=CCC
InChIInChI=1S/C10H20N2/c1-3-4-9(2)7-10(8-12)5-6-11/h4,8,10,12H,3,5-7,11H2,1-2H3/b9-4?,12-8+
InChIKeyRXWAATSEOXKJAB-FUOPGCFSSA-N
MW168.28 g/mol
LogP2.35
Rot. Bonds6

About 3-methanimidoyl-5-methyloct-5-en-1-amine

3-methanimidoyl-5-methyloct-5-en-1-amine (PubChem CID 123629211) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-methanimidoyl-5-methyloct-5-en-1-amine.

Molecular Properties

Compound Name3-methanimidoyl-5-methyloct-5-en-1-amine
PubChem CID123629211
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3-methanimidoyl-5-methyloct-5-en-1-amine
SMILES[H]/N=C/C(CCN)CC(C)=CCC
InChIInChI=1S/C10H20N2/c1-3-4-9(2)7-10(8-12)5-6-11/h4,8,10,12H,3,5-7,11H2,1-2H3/b9-4?,12-8+
InChIKeyRXWAATSEOXKJAB-FUOPGCFSSA-N
XLogP2.35
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.35
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

3,7-Dimethyloct-6-en-1-amine
CID 3016807
(2S,5Z,8E)-8-fluoro-2-methanimidoyl-7-methyl-4-methylidenedeca-5,8-dien-1-amine
CID 163413862
2-Imino-1-(6-methylcyclohexa-1,3-dien-1-yl)ethanamine
CID 89153800
7-Ethyl-3-methyl-2-methylidenenon-6-en-1-imine
CID 89282931
(Z)-4-methyl-2-propylhex-4-en-1-imine
CID 89697919
(3R)-3,7-dimethyloct-6-en-1-amine
CID 92950554
(3S)-3,7-dimethyloct-6-en-1-amine
CID 92950555
(E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine
CID 123193034
(2E)-2-(2-iminoethylidene)-3,5-dimethylhexanimidamide
CID 123320230
2-Butyl-3-methylhept-3-ene-1,7-diamine
CID 123353793
4,5-Dimethylhept-5-en-1-amine
CID 123386670
2,6-Dimethylhept-5-en-1-imine
CID 123800628

Frequently Asked Questions

What is the IUPAC name of 3-methanimidoyl-5-methyloct-5-en-1-amine?
The IUPAC name of 3-methanimidoyl-5-methyloct-5-en-1-amine (CID 123629211) is 3-methanimidoyl-5-methyloct-5-en-1-amine.
What is the SMILES notation for 3-methanimidoyl-5-methyloct-5-en-1-amine?
The canonical SMILES for 3-methanimidoyl-5-methyloct-5-en-1-amine is [H]/N=C/C(CCN)CC(C)=CCC.
What is the InChIKey of 3-methanimidoyl-5-methyloct-5-en-1-amine?
The InChIKey is RXWAATSEOXKJAB-FUOPGCFSSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-4-9(2)7-10(8-12)5-6-11/h4,8,10,12H,3,5-7,11H2,1-2H3/b9-4?,12-8+.
What are the key properties of 3-methanimidoyl-5-methyloct-5-en-1-amine?
3-methanimidoyl-5-methyloct-5-en-1-amine has a molecular weight of 168.28 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanimidoyl-5-methyloct-5-en-1-amine is sourced from PubChem (CID 123629211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).