N-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)methanamine

C8H13N — CID 58760430

IUPACN-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)methanamine
SMILESCNCC1=CC(C)=CC1
InChIInChI=1S/C8H13N/c1-7-3-4-8(5-7)6-9-2/h3,5,9H,4,6H2,1-2H3
InChIKeyQIGAEYWNCQVNQW-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.48
Rot. Bonds2

About N-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)methanamine

N-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)methanamine (PubChem CID 58760430) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)methanamine
PubChem CID58760430
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)methanamine
SMILESCNCC1=CC(C)=CC1
InChIInChI=1S/C8H13N/c1-7-3-4-8(5-7)6-9-2/h3,5,9H,4,6H2,1-2H3
InChIKeyQIGAEYWNCQVNQW-UHFFFAOYSA-N
XLogP1.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)methanamine?
The IUPAC name of N-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)methanamine (CID 58760430) is N-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)methanamine is CNCC1=CC(C)=CC1.
What is the InChIKey of N-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)methanamine?
The InChIKey is QIGAEYWNCQVNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7-3-4-8(5-7)6-9-2/h3,5,9H,4,6H2,1-2H3.
What are the key properties of N-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)methanamine?
N-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)methanamine has a molecular weight of 123.20 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylcyclopenta-1,3-dien-1-yl)methanamine is sourced from PubChem (CID 58760430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).