N-methylhepta-2,3,4,5,6-pentaen-2-amine

C8H9N — CID 59929765

IUPACN-methylhepta-2,3,4,5,6-pentaen-2-amine
SMILESC=C=C=C=C=C(C)NC
InChIInChI=1S/C8H9N/c1-4-5-6-7-8(2)9-3/h9H,1H2,2-3H3
InChIKeyHVXJQLJBSQWZJL-UHFFFAOYSA-N
MW119.17 g/mol
LogP1.36
Rot. Bonds1

About N-methylhepta-2,3,4,5,6-pentaen-2-amine

N-methylhepta-2,3,4,5,6-pentaen-2-amine (PubChem CID 59929765) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is N-methylhepta-2,3,4,5,6-pentaen-2-amine.

Molecular Properties

Compound NameN-methylhepta-2,3,4,5,6-pentaen-2-amine
PubChem CID59929765
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC NameN-methylhepta-2,3,4,5,6-pentaen-2-amine
SMILESC=C=C=C=C=C(C)NC
InChIInChI=1S/C8H9N/c1-4-5-6-7-8(2)9-3/h9H,1H2,2-3H3
InChIKeyHVXJQLJBSQWZJL-UHFFFAOYSA-N
XLogP1.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methylhepta-2,3,4,5,6-pentaen-2-amine?
The IUPAC name of N-methylhepta-2,3,4,5,6-pentaen-2-amine (CID 59929765) is N-methylhepta-2,3,4,5,6-pentaen-2-amine.
What is the SMILES notation for N-methylhepta-2,3,4,5,6-pentaen-2-amine?
The canonical SMILES for N-methylhepta-2,3,4,5,6-pentaen-2-amine is C=C=C=C=C=C(C)NC.
What is the InChIKey of N-methylhepta-2,3,4,5,6-pentaen-2-amine?
The InChIKey is HVXJQLJBSQWZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N/c1-4-5-6-7-8(2)9-3/h9H,1H2,2-3H3.
What are the key properties of N-methylhepta-2,3,4,5,6-pentaen-2-amine?
N-methylhepta-2,3,4,5,6-pentaen-2-amine has a molecular weight of 119.17 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylhepta-2,3,4,5,6-pentaen-2-amine is sourced from PubChem (CID 59929765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).