(11Z)-11-[amino(phosphanyl)amino]-5-methyl-6H-benzo[c][1]benzazocin-12-amine;ethane

C18H25N4P — CID 144590175

IUPAC(11Z)-11-[amino(phosphanyl)amino]-5-methyl-6H-benzo[c][1]benzazocin-12-amine;ethane
SMILESCC.CN1Cc2ccccc2/C(N(N)P)=C(/N)c2ccccc21
InChIInChI=1S/C16H19N4P.C2H6/c1-19-10-11-6-2-3-7-12(11)16(20(18)21)15(17)13-8-4-5-9-14(13)19;1-2/h2-9H,10,17-18,21H2,1H3;1-2H3/b16-15-;
InChIKeyKJCFEFOQYQSSEC-YFKNTREVSA-N
MW328.40 g/mol
LogP3.41
Rot. Bonds1

About (11Z)-11-[amino(phosphanyl)amino]-5-methyl-6H-benzo[c][1]benzazocin-12-amine;ethane

(11Z)-11-[amino(phosphanyl)amino]-5-methyl-6H-benzo[c][1]benzazocin-12-amine;ethane (PubChem CID 144590175) has the molecular formula C18H25N4P and a molecular weight of 328.40 g/mol. Its IUPAC name is (11Z)-11-[amino(phosphanyl)amino]-5-methyl-6H-benzo[c][1]benzazocin-12-amine;ethane.

Molecular Properties

Compound Name(11Z)-11-[amino(phosphanyl)amino]-5-methyl-6H-benzo[c][1]benzazocin-12-amine;ethane
PubChem CID144590175
Molecular FormulaC18H25N4P
Molecular Weight328.40 g/mol
Exact Mass328.18
IUPAC Name(11Z)-11-[amino(phosphanyl)amino]-5-methyl-6H-benzo[c][1]benzazocin-12-amine;ethane
SMILESCC.CN1Cc2ccccc2/C(N(N)P)=C(/N)c2ccccc21
InChIInChI=1S/C16H19N4P.C2H6/c1-19-10-11-6-2-3-7-12(11)16(20(18)21)15(17)13-8-4-5-9-14(13)19;1-2/h2-9H,10,17-18,21H2,1H3;1-2H3/b16-15-;
InChIKeyKJCFEFOQYQSSEC-YFKNTREVSA-N
XLogP3.41
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

ethane;(11Z)-5-methyl-6H-benzo[c][1]benzazocine-11,12-diamine
CID 155741393
3,11-dimethyl-3,11-diazatetracyclo[11.4.0.02,4.05,10]heptadeca-1(17),2(4),5,7,9,13,15-heptaene;ethane
CID 142452538
1-[(11Z)-12-amino-11-[amino(methyl)amino]-6H-benzo[c][1]benzazocin-5-yl]ethanone
CID 145302097
2,5-dimethyl-6H-phenanthridine
CID 58184346
2-[[(11Z)-5-acetyl-12-amino-6H-benzo[c][1]benzazocin-11-yl]-aminoamino]acetamide;ethane
CID 142291738
14-methyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),8,10,12,16,18-heptaene
CID 171814428
N'-[(Z)-[(Z)-1,4-diamino-5-[amino-[4-[amino-[(11Z)-12-amino-5-methyl-6H-benzo[c][1]benzazocin-11-yl]amino]butyl]amino]pent-4-enylidene]amino]benzenecarboximidamide
CID 177324261
5-methyl-6,11-dihydrobenzo[c][1]benzazocin-12-one
CID 56958885
(3Z,5Z)-6-[amino(methyl)amino]-3,4-bis(ethenyl)-1-methyl-2H-1-benzazocin-5-amine;ethane
CID 153397876
(11Z)-11-[amino(ethyl)amino]-5-propan-2-yl-6H-benzo[c][1]benzazocin-12-amine;(11Z)-12-[amino(propan-2-yl)amino]-5-propan-2-yl-6H-benzo[c][1]benzazocin-11-amine
CID 176693708
(11E)-11-(aminodiazenyl)-12-ethyl-5-methyl-6H-benzo[c][1]benzazocine;ethane
CID 176713426
1-methyl-2H-indol-3-one
CID 10125067

Frequently Asked Questions

What is the IUPAC name of (11Z)-11-[amino(phosphanyl)amino]-5-methyl-6H-benzo[c][1]benzazocin-12-amine;ethane?
The IUPAC name of (11Z)-11-[amino(phosphanyl)amino]-5-methyl-6H-benzo[c][1]benzazocin-12-amine;ethane (CID 144590175) is (11Z)-11-[amino(phosphanyl)amino]-5-methyl-6H-benzo[c][1]benzazocin-12-amine;ethane.
What is the SMILES notation for (11Z)-11-[amino(phosphanyl)amino]-5-methyl-6H-benzo[c][1]benzazocin-12-amine;ethane?
The canonical SMILES for (11Z)-11-[amino(phosphanyl)amino]-5-methyl-6H-benzo[c][1]benzazocin-12-amine;ethane is CC.CN1Cc2ccccc2/C(N(N)P)=C(/N)c2ccccc21.
What is the InChIKey of (11Z)-11-[amino(phosphanyl)amino]-5-methyl-6H-benzo[c][1]benzazocin-12-amine;ethane?
The InChIKey is KJCFEFOQYQSSEC-YFKNTREVSA-N. The full InChI is InChI=1S/C16H19N4P.C2H6/c1-19-10-11-6-2-3-7-12(11)16(20(18)21)15(17)13-8-4-5-9-14(13)19;1-2/h2-9H,10,17-18,21H2,1H3;1-2H3/b16-15-;.
What are the key properties of (11Z)-11-[amino(phosphanyl)amino]-5-methyl-6H-benzo[c][1]benzazocin-12-amine;ethane?
(11Z)-11-[amino(phosphanyl)amino]-5-methyl-6H-benzo[c][1]benzazocin-12-amine;ethane has a molecular weight of 328.40 g/mol, XLogP of 3.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z)-11-[amino(phosphanyl)amino]-5-methyl-6H-benzo[c][1]benzazocin-12-amine;ethane is sourced from PubChem (CID 144590175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).