4-amino-N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]butanamide

C19H25N5O — CID 71561930

IUPAC4-amino-N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]butanamide
SMILESNCCCC(=O)Nc1ccc(CCc2ccc(N=C(N)N)cc2)cc1
InChIInChI=1S/C19H25N5O/c20-13-1-2-18(25)23-16-9-5-14(6-10-16)3-4-15-7-11-17(12-8-15)24-19(21)22/h5-12H,1-4,13,20H2,(H,23,25)(H4,21,22,24)
InChIKeyMNONJZSNFQWRAI-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.05
Rot. Bonds8

About 4-amino-N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]butanamide

4-amino-N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]butanamide (PubChem CID 71561930) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-amino-N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]butanamide
PubChem CID71561930
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name4-amino-N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]butanamide
SMILESNCCCC(=O)Nc1ccc(CCc2ccc(N=C(N)N)cc2)cc1
InChIInChI=1S/C19H25N5O/c20-13-1-2-18(25)23-16-9-5-14(6-10-16)3-4-15-7-11-17(12-8-15)24-19(21)22/h5-12H,1-4,13,20H2,(H,23,25)(H4,21,22,24)
InChIKeyMNONJZSNFQWRAI-UHFFFAOYSA-N
XLogP2.05
TPSA119.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]butanamide?
The IUPAC name of 4-amino-N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]butanamide (CID 71561930) is 4-amino-N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]butanamide?
The canonical SMILES for 4-amino-N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]butanamide is NCCCC(=O)Nc1ccc(CCc2ccc(N=C(N)N)cc2)cc1.
What is the InChIKey of 4-amino-N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]butanamide?
The InChIKey is MNONJZSNFQWRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c20-13-1-2-18(25)23-16-9-5-14(6-10-16)3-4-15-7-11-17(12-8-15)24-19(21)22/h5-12H,1-4,13,20H2,(H,23,25)(H4,21,22,24).
What are the key properties of 4-amino-N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]butanamide?
4-amino-N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]butanamide has a molecular weight of 339.44 g/mol, XLogP of 2.05, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]butanamide is sourced from PubChem (CID 71561930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).