4-methylidene-3-(2-methyliminopropyl)hex-5-en-1-amine

C11H20N2 — CID 163515360

IUPAC4-methylidene-3-(2-methyliminopropyl)hex-5-en-1-amine
SMILESC=CC(=C)C(CCN)C/C(C)=N/C
InChIInChI=1S/C11H20N2/c1-5-9(2)11(6-7-12)8-10(3)13-4/h5,11H,1-2,6-8,12H2,3-4H3/b13-10+
InChIKeyDGFWZLPSTILVBU-JLHYYAGUSA-N
MW180.29 g/mol
LogP2.17
Rot. Bonds6

About 4-methylidene-3-(2-methyliminopropyl)hex-5-en-1-amine

4-methylidene-3-(2-methyliminopropyl)hex-5-en-1-amine (PubChem CID 163515360) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-methylidene-3-(2-methyliminopropyl)hex-5-en-1-amine.

Molecular Properties

Compound Name4-methylidene-3-(2-methyliminopropyl)hex-5-en-1-amine
PubChem CID163515360
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4-methylidene-3-(2-methyliminopropyl)hex-5-en-1-amine
SMILESC=CC(=C)C(CCN)C/C(C)=N/C
InChIInChI=1S/C11H20N2/c1-5-9(2)11(6-7-12)8-10(3)13-4/h5,11H,1-2,6-8,12H2,3-4H3/b13-10+
InChIKeyDGFWZLPSTILVBU-JLHYYAGUSA-N
XLogP2.17
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Imino-6-methylhept-1-en-4-amine
CID 89093635
3-Imino-5-methyloct-7-en-2-amine
CID 90277713
(4Z)-4-[(butan-2-ylideneamino)methylidene]hex-5-en-1-amine
CID 123142909
(4-Propyliminocyclohex-2-en-1-yl)methanamine
CID 123339384
(4-Butyliminocyclohex-2-en-1-yl)methanamine
CID 123602996
2-N-but-3-enyl-3-methylhexane-2,4-diimine
CID 123819837
2-N-(5-methylhept-6-en-2-yl)pentane-2,3-diimine
CID 123857206
3-Imino-5-methylhept-6-en-2-amine
CID 124011593
3-Ethyl-5-(2-methylprop-1-enylimino)hept-6-ene-1,4-diamine
CID 144799384
2-Ethenyl-4-methyliminopentan-1-amine
CID 145468051
2-Buta-1,3-dien-2-yl-3-(butan-2-ylideneamino)cyclopropan-1-amine
CID 167073831
(1Z)-2-(3-methylbut-1-en-2-yl)-3-methyliminopenta-1,4-dien-1-amine
CID 172336832

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-3-(2-methyliminopropyl)hex-5-en-1-amine?
The IUPAC name of 4-methylidene-3-(2-methyliminopropyl)hex-5-en-1-amine (CID 163515360) is 4-methylidene-3-(2-methyliminopropyl)hex-5-en-1-amine.
What is the SMILES notation for 4-methylidene-3-(2-methyliminopropyl)hex-5-en-1-amine?
The canonical SMILES for 4-methylidene-3-(2-methyliminopropyl)hex-5-en-1-amine is C=CC(=C)C(CCN)C/C(C)=N/C.
What is the InChIKey of 4-methylidene-3-(2-methyliminopropyl)hex-5-en-1-amine?
The InChIKey is DGFWZLPSTILVBU-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-9(2)11(6-7-12)8-10(3)13-4/h5,11H,1-2,6-8,12H2,3-4H3/b13-10+.
What are the key properties of 4-methylidene-3-(2-methyliminopropyl)hex-5-en-1-amine?
4-methylidene-3-(2-methyliminopropyl)hex-5-en-1-amine has a molecular weight of 180.29 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-3-(2-methyliminopropyl)hex-5-en-1-amine is sourced from PubChem (CID 163515360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).