N-methyl-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]propan-2-amine

C11H16N2 — CID 170046280

IUPACN-methyl-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]propan-2-amine
SMILESC=C1C=CC=C/C1=N/N(C)C(C)C
InChIInChI=1S/C11H16N2/c1-9(2)13(4)12-11-8-6-5-7-10(11)3/h5-9H,3H2,1-2,4H3/b12-11-
InChIKeyKZHRKPPSQPPFAC-QXMHVHEDSA-N
MW176.26 g/mol
LogP2.36
Rot. Bonds2

About N-methyl-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]propan-2-amine

N-methyl-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]propan-2-amine (PubChem CID 170046280) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-methyl-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]propan-2-amine
PubChem CID170046280
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-methyl-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]propan-2-amine
SMILESC=C1C=CC=C/C1=N/N(C)C(C)C
InChIInChI=1S/C11H16N2/c1-9(2)13(4)12-11-8-6-5-7-10(11)3/h5-9H,3H2,1-2,4H3/b12-11-
InChIKeyKZHRKPPSQPPFAC-QXMHVHEDSA-N
XLogP2.36
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]propan-2-amine?
The IUPAC name of N-methyl-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]propan-2-amine (CID 170046280) is N-methyl-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]propan-2-amine.
What is the SMILES notation for N-methyl-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]propan-2-amine?
The canonical SMILES for N-methyl-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]propan-2-amine is C=C1C=CC=C/C1=N/N(C)C(C)C.
What is the InChIKey of N-methyl-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]propan-2-amine?
The InChIKey is KZHRKPPSQPPFAC-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H16N2/c1-9(2)13(4)12-11-8-6-5-7-10(11)3/h5-9H,3H2,1-2,4H3/b12-11-.
What are the key properties of N-methyl-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]propan-2-amine?
N-methyl-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]propan-2-amine has a molecular weight of 176.26 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]propan-2-amine is sourced from PubChem (CID 170046280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).