N-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine

C9H12N2 — CID 939724

IUPACN-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine
SMILESC/N=c1\cccccc1NC
InChIInChI=1S/C9H12N2/c1-10-8-6-4-3-5-7-9(8)11-2/h3-7H,1-2H3,(H,10,11)
InChIKeyPVUJEIMMYXGDRV-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.26
Rot. Bonds1

About N-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine

N-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine (PubChem CID 939724) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound NameN-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine
PubChem CID939724
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine
SMILESC/N=c1\cccccc1NC
InChIInChI=1S/C9H12N2/c1-10-8-6-4-3-5-7-9(8)11-2/h3-7H,1-2H3,(H,10,11)
InChIKeyPVUJEIMMYXGDRV-UHFFFAOYSA-N
XLogP1.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine
CID 777099
2-(Methylamino)-4-(methylimino)-pentene-2
CID 14983634
N-Methyl-4-(methylimino)-2-penten-2-amine
CID 72320248
2,3-dihydro-1H-cyclohepta[b]pyrazine
CID 14174472
Pyrroloazocine
CID 137224559
Potassium propan-2-yl-(7-propan-2-ylazaniumylidenecyclohepta-1,3,5-trien-1-yl)azanide
CID 176421302
(E)-N-methyl-4-methyliminopent-2-en-2-amine
CID 19374182
N,4-dimethyl-10-methyliminoundeca-2,4,6,8-tetraen-2-amine
CID 53962751
methyl-[(3E,5E)-6-(methylamino)hepta-3,5-dien-2-ylidene]azanium
CID 57895519
N,4-dimethyl-6-methyliminohepta-2,4-dien-2-amine
CID 59886162
Methyl-[4-methyl-6-(methylamino)hepta-3,5-dien-2-ylidene]azanium
CID 59957987
1H-cyclohepta[b]pyrazine
CID 68550528

Frequently Asked Questions

What is the IUPAC name of N-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine?
The IUPAC name of N-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine (CID 939724) is N-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for N-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for N-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine is C/N=c1\cccccc1NC.
What is the InChIKey of N-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine?
The InChIKey is PVUJEIMMYXGDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-10-8-6-4-3-5-7-9(8)11-2/h3-7H,1-2H3,(H,10,11).
What are the key properties of N-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine?
N-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine has a molecular weight of 148.21 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 939724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).