6-(4-aminophenyl)imino-4-butoxy-3-iminocyclohexa-1,4-dien-1-amine

C16H20N4O — CID 138503439

IUPAC6-(4-aminophenyl)imino-4-butoxy-3-iminocyclohexa-1,4-dien-1-amine
SMILES[H]/N=C1\C=C(N)/C(=N/c2ccc(N)cc2)C=C1OCCCC
InChIInChI=1S/C16H20N4O/c1-2-3-8-21-16-10-15(13(18)9-14(16)19)20-12-6-4-11(17)5-7-12/h4-7,9-10,19H,2-3,8,17-18H2,1H3/b19-14+,20-15+
InChIKeyFNGRSRMRPNHWTI-PXXPDPNMSA-N
MW284.36 g/mol
LogP2.92
Rot. Bonds5

About 6-(4-aminophenyl)imino-4-butoxy-3-iminocyclohexa-1,4-dien-1-amine

6-(4-aminophenyl)imino-4-butoxy-3-iminocyclohexa-1,4-dien-1-amine (PubChem CID 138503439) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-(4-aminophenyl)imino-4-butoxy-3-iminocyclohexa-1,4-dien-1-amine.

Molecular Properties

Compound Name6-(4-aminophenyl)imino-4-butoxy-3-iminocyclohexa-1,4-dien-1-amine
PubChem CID138503439
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name6-(4-aminophenyl)imino-4-butoxy-3-iminocyclohexa-1,4-dien-1-amine
SMILES[H]/N=C1\C=C(N)/C(=N/c2ccc(N)cc2)C=C1OCCCC
InChIInChI=1S/C16H20N4O/c1-2-3-8-21-16-10-15(13(18)9-14(16)19)20-12-6-4-11(17)5-7-12/h4-7,9-10,19H,2-3,8,17-18H2,1H3/b19-14+,20-15+
InChIKeyFNGRSRMRPNHWTI-PXXPDPNMSA-N
XLogP2.92
TPSA97.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-aminophenyl)imino-4-[ethyl(methyl)amino]-6-iminocyclohexa-1,4-dien-1-yl]oxyethanol
CID 123568757
1-[4-[(4-amino-6-imino-3-pentoxycyclohexa-2,4-dien-1-ylidene)amino]-N-(2-hydroxyethyl)anilino]ethanol
CID 138503436
4-[(4-butoxyphenyl)diazenyl]aniline
CID 3684446
4-[2-(4-hexoxyphenyl)ethynyl]aniline
CID 22644339
4-[(3-ethoxy-4,6-diiminocyclohex-2-en-1-ylidene)amino]phenol
CID 137031994
4-(2-pentoxyethoxy)aniline
CID 43274923
azane;ethane;ethene;4-octadecoxyaniline
CID 142260214
benzene-1,4-diamine;pentan-1-ol
CID 174707201
4-(2-heptoxyethoxy)aniline
CID 43366149
benzene-1,4-diamine;butane
CID 67434753
8-amino-4-(4-butoxyphenyl)imino-5-hydroxynaphthalen-1-one
CID 135709756
4-[3-(4-propylphenoxy)propoxy]aniline
CID 62548380

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminophenyl)imino-4-butoxy-3-iminocyclohexa-1,4-dien-1-amine?
The IUPAC name of 6-(4-aminophenyl)imino-4-butoxy-3-iminocyclohexa-1,4-dien-1-amine (CID 138503439) is 6-(4-aminophenyl)imino-4-butoxy-3-iminocyclohexa-1,4-dien-1-amine.
What is the SMILES notation for 6-(4-aminophenyl)imino-4-butoxy-3-iminocyclohexa-1,4-dien-1-amine?
The canonical SMILES for 6-(4-aminophenyl)imino-4-butoxy-3-iminocyclohexa-1,4-dien-1-amine is [H]/N=C1\C=C(N)/C(=N/c2ccc(N)cc2)C=C1OCCCC.
What is the InChIKey of 6-(4-aminophenyl)imino-4-butoxy-3-iminocyclohexa-1,4-dien-1-amine?
The InChIKey is FNGRSRMRPNHWTI-PXXPDPNMSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-3-8-21-16-10-15(13(18)9-14(16)19)20-12-6-4-11(17)5-7-12/h4-7,9-10,19H,2-3,8,17-18H2,1H3/b19-14+,20-15+.
What are the key properties of 6-(4-aminophenyl)imino-4-butoxy-3-iminocyclohexa-1,4-dien-1-amine?
6-(4-aminophenyl)imino-4-butoxy-3-iminocyclohexa-1,4-dien-1-amine has a molecular weight of 284.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminophenyl)imino-4-butoxy-3-iminocyclohexa-1,4-dien-1-amine is sourced from PubChem (CID 138503439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).