(Z)-N-methyl-N-[5-(methylideneamino)pentyl]hex-4-en-1-amine

C13H26N2 — CID 129228189

IUPAC(Z)-N-methyl-N-[5-(methylideneamino)pentyl]hex-4-en-1-amine
SMILESC=NCCCCCN(C)CCC/C=C\C
InChIInChI=1S/C13H26N2/c1-4-5-6-9-12-15(3)13-10-7-8-11-14-2/h4-5H,2,6-13H2,1,3H3/b5-4-
InChIKeyTUDLVQCQWHWHEV-PLNGDYQASA-N
MW210.36 g/mol
LogP3.15
Rot. Bonds10

About (Z)-N-methyl-N-[5-(methylideneamino)pentyl]hex-4-en-1-amine

(Z)-N-methyl-N-[5-(methylideneamino)pentyl]hex-4-en-1-amine (PubChem CID 129228189) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is (Z)-N-methyl-N-[5-(methylideneamino)pentyl]hex-4-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-N-[5-(methylideneamino)pentyl]hex-4-en-1-amine
PubChem CID129228189
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name(Z)-N-methyl-N-[5-(methylideneamino)pentyl]hex-4-en-1-amine
SMILESC=NCCCCCN(C)CCC/C=C\C
InChIInChI=1S/C13H26N2/c1-4-5-6-9-12-15(3)13-10-7-8-11-14-2/h4-5H,2,6-13H2,1,3H3/b5-4-
InChIKeyTUDLVQCQWHWHEV-PLNGDYQASA-N
XLogP3.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-N-[5-(methylideneamino)pentyl]hex-4-en-1-amine?
The IUPAC name of (Z)-N-methyl-N-[5-(methylideneamino)pentyl]hex-4-en-1-amine (CID 129228189) is (Z)-N-methyl-N-[5-(methylideneamino)pentyl]hex-4-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-N-[5-(methylideneamino)pentyl]hex-4-en-1-amine?
The canonical SMILES for (Z)-N-methyl-N-[5-(methylideneamino)pentyl]hex-4-en-1-amine is C=NCCCCCN(C)CCC/C=C\C.
What is the InChIKey of (Z)-N-methyl-N-[5-(methylideneamino)pentyl]hex-4-en-1-amine?
The InChIKey is TUDLVQCQWHWHEV-PLNGDYQASA-N. The full InChI is InChI=1S/C13H26N2/c1-4-5-6-9-12-15(3)13-10-7-8-11-14-2/h4-5H,2,6-13H2,1,3H3/b5-4-.
What are the key properties of (Z)-N-methyl-N-[5-(methylideneamino)pentyl]hex-4-en-1-amine?
(Z)-N-methyl-N-[5-(methylideneamino)pentyl]hex-4-en-1-amine has a molecular weight of 210.36 g/mol, XLogP of 3.15, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-N-[5-(methylideneamino)pentyl]hex-4-en-1-amine is sourced from PubChem (CID 129228189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).