N-methyl-2-(methylideneamino)-N-propan-2-ylcyclohepta-1,3,6-trien-1-amine

C12H18N2 — CID 144536924

IUPACN-methyl-2-(methylideneamino)-N-propan-2-ylcyclohepta-1,3,6-trien-1-amine
SMILESC=NC1=C(N(C)C(C)C)C=CCC=C1
InChIInChI=1S/C12H18N2/c1-10(2)14(4)12-9-7-5-6-8-11(12)13-3/h6-10H,3,5H2,1-2,4H3
InChIKeyKFKMIDSXDQKBHO-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.75
Rot. Bonds3

About N-methyl-2-(methylideneamino)-N-propan-2-ylcyclohepta-1,3,6-trien-1-amine

N-methyl-2-(methylideneamino)-N-propan-2-ylcyclohepta-1,3,6-trien-1-amine (PubChem CID 144536924) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-methyl-2-(methylideneamino)-N-propan-2-ylcyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound NameN-methyl-2-(methylideneamino)-N-propan-2-ylcyclohepta-1,3,6-trien-1-amine
PubChem CID144536924
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-methyl-2-(methylideneamino)-N-propan-2-ylcyclohepta-1,3,6-trien-1-amine
SMILESC=NC1=C(N(C)C(C)C)C=CCC=C1
InChIInChI=1S/C12H18N2/c1-10(2)14(4)12-9-7-5-6-8-11(12)13-3/h6-10H,3,5H2,1-2,4H3
InChIKeyKFKMIDSXDQKBHO-UHFFFAOYSA-N
XLogP2.75
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylideneamino)-N-propan-2-ylcyclohepta-1,3,6-trien-1-amine?
The IUPAC name of N-methyl-2-(methylideneamino)-N-propan-2-ylcyclohepta-1,3,6-trien-1-amine (CID 144536924) is N-methyl-2-(methylideneamino)-N-propan-2-ylcyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for N-methyl-2-(methylideneamino)-N-propan-2-ylcyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for N-methyl-2-(methylideneamino)-N-propan-2-ylcyclohepta-1,3,6-trien-1-amine is C=NC1=C(N(C)C(C)C)C=CCC=C1.
What is the InChIKey of N-methyl-2-(methylideneamino)-N-propan-2-ylcyclohepta-1,3,6-trien-1-amine?
The InChIKey is KFKMIDSXDQKBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10(2)14(4)12-9-7-5-6-8-11(12)13-3/h6-10H,3,5H2,1-2,4H3.
What are the key properties of N-methyl-2-(methylideneamino)-N-propan-2-ylcyclohepta-1,3,6-trien-1-amine?
N-methyl-2-(methylideneamino)-N-propan-2-ylcyclohepta-1,3,6-trien-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylideneamino)-N-propan-2-ylcyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 144536924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).