(11Z)-11-[amino(propan-2-yl)amino]-5,6-dihydrobenzo[c][1]benzazocin-12-amine

C18H22N4 — CID 167443973

IUPAC(11Z)-11-[amino(propan-2-yl)amino]-5,6-dihydrobenzo[c][1]benzazocin-12-amine
SMILESCC(C)N(N)/C1=C(\N)c2ccccc2NCc2ccccc21
InChIInChI=1S/C18H22N4/c1-12(2)22(20)18-14-8-4-3-7-13(14)11-21-16-10-6-5-9-15(16)17(18)19/h3-10,12,21H,11,19-20H2,1-2H3/b18-17-
InChIKeyMOSNOXZLCQMFGP-ZCXUNETKSA-N
MW294.40 g/mol
LogP2.98
Rot. Bonds2

About (11Z)-11-[amino(propan-2-yl)amino]-5,6-dihydrobenzo[c][1]benzazocin-12-amine

(11Z)-11-[amino(propan-2-yl)amino]-5,6-dihydrobenzo[c][1]benzazocin-12-amine (PubChem CID 167443973) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is (11Z)-11-[amino(propan-2-yl)amino]-5,6-dihydrobenzo[c][1]benzazocin-12-amine.

Molecular Properties

Compound Name(11Z)-11-[amino(propan-2-yl)amino]-5,6-dihydrobenzo[c][1]benzazocin-12-amine
PubChem CID167443973
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name(11Z)-11-[amino(propan-2-yl)amino]-5,6-dihydrobenzo[c][1]benzazocin-12-amine
SMILESCC(C)N(N)/C1=C(\N)c2ccccc2NCc2ccccc21
InChIInChI=1S/C18H22N4/c1-12(2)22(20)18-14-8-4-3-7-13(14)11-21-16-10-6-5-9-15(16)17(18)19/h3-10,12,21H,11,19-20H2,1-2H3/b18-17-
InChIKeyMOSNOXZLCQMFGP-ZCXUNETKSA-N
XLogP2.98
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (11Z)-11-[amino(propan-2-yl)amino]-5,6-dihydrobenzo[c][1]benzazocin-12-amine?
The IUPAC name of (11Z)-11-[amino(propan-2-yl)amino]-5,6-dihydrobenzo[c][1]benzazocin-12-amine (CID 167443973) is (11Z)-11-[amino(propan-2-yl)amino]-5,6-dihydrobenzo[c][1]benzazocin-12-amine.
What is the SMILES notation for (11Z)-11-[amino(propan-2-yl)amino]-5,6-dihydrobenzo[c][1]benzazocin-12-amine?
The canonical SMILES for (11Z)-11-[amino(propan-2-yl)amino]-5,6-dihydrobenzo[c][1]benzazocin-12-amine is CC(C)N(N)/C1=C(\N)c2ccccc2NCc2ccccc21.
What is the InChIKey of (11Z)-11-[amino(propan-2-yl)amino]-5,6-dihydrobenzo[c][1]benzazocin-12-amine?
The InChIKey is MOSNOXZLCQMFGP-ZCXUNETKSA-N. The full InChI is InChI=1S/C18H22N4/c1-12(2)22(20)18-14-8-4-3-7-13(14)11-21-16-10-6-5-9-15(16)17(18)19/h3-10,12,21H,11,19-20H2,1-2H3/b18-17-.
What are the key properties of (11Z)-11-[amino(propan-2-yl)amino]-5,6-dihydrobenzo[c][1]benzazocin-12-amine?
(11Z)-11-[amino(propan-2-yl)amino]-5,6-dihydrobenzo[c][1]benzazocin-12-amine has a molecular weight of 294.40 g/mol, XLogP of 2.98, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z)-11-[amino(propan-2-yl)amino]-5,6-dihydrobenzo[c][1]benzazocin-12-amine is sourced from PubChem (CID 167443973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).