1-N'-[(Z)-amino-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1-N',2,2-trimethylpropane-1,1-diamine

C14H23N3 — CID 167066607

IUPAC1-N'-[(Z)-amino-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1-N',2,2-trimethylpropane-1,1-diamine
SMILESC=c1cccc/c1=C(\N)N(C)C(N)C(C)(C)C
InChIInChI=1S/C14H23N3/c1-10-8-6-7-9-11(10)12(15)17(5)13(16)14(2,3)4/h6-9,13H,1,15-16H2,2-5H3/b12-11-
InChIKeyWSXDYGGKWAWZRJ-QXMHVHEDSA-N
MW233.36 g/mol
LogP0.38
Rot. Bonds2

About 1-N'-[(Z)-amino-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1-N',2,2-trimethylpropane-1,1-diamine

1-N'-[(Z)-amino-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1-N',2,2-trimethylpropane-1,1-diamine (PubChem CID 167066607) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-N'-[(Z)-amino-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1-N',2,2-trimethylpropane-1,1-diamine.

Molecular Properties

Compound Name1-N'-[(Z)-amino-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1-N',2,2-trimethylpropane-1,1-diamine
PubChem CID167066607
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-N'-[(Z)-amino-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1-N',2,2-trimethylpropane-1,1-diamine
SMILESC=c1cccc/c1=C(\N)N(C)C(N)C(C)(C)C
InChIInChI=1S/C14H23N3/c1-10-8-6-7-9-11(10)12(15)17(5)13(16)14(2,3)4/h6-9,13H,1,15-16H2,2-5H3/b12-11-
InChIKeyWSXDYGGKWAWZRJ-QXMHVHEDSA-N
XLogP0.38
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N'-[(Z)-amino-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1-N',2,2-trimethylpropane-1,1-diamine?
The IUPAC name of 1-N'-[(Z)-amino-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1-N',2,2-trimethylpropane-1,1-diamine (CID 167066607) is 1-N'-[(Z)-amino-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1-N',2,2-trimethylpropane-1,1-diamine.
What is the SMILES notation for 1-N'-[(Z)-amino-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1-N',2,2-trimethylpropane-1,1-diamine?
The canonical SMILES for 1-N'-[(Z)-amino-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1-N',2,2-trimethylpropane-1,1-diamine is C=c1cccc/c1=C(\N)N(C)C(N)C(C)(C)C.
What is the InChIKey of 1-N'-[(Z)-amino-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1-N',2,2-trimethylpropane-1,1-diamine?
The InChIKey is WSXDYGGKWAWZRJ-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H23N3/c1-10-8-6-7-9-11(10)12(15)17(5)13(16)14(2,3)4/h6-9,13H,1,15-16H2,2-5H3/b12-11-.
What are the key properties of 1-N'-[(Z)-amino-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1-N',2,2-trimethylpropane-1,1-diamine?
1-N'-[(Z)-amino-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1-N',2,2-trimethylpropane-1,1-diamine has a molecular weight of 233.36 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(Z)-amino-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1-N',2,2-trimethylpropane-1,1-diamine is sourced from PubChem (CID 167066607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).