5-amino-N-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]pentanamide

C19H25N5O — CID 71562054

IUPAC5-amino-N-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]pentanamide
SMILESNCCCCC(=O)Nc1ccc(Cc2ccc(N=C(N)N)cc2)cc1
InChIInChI=1S/C19H25N5O/c20-12-2-1-3-18(25)23-16-8-4-14(5-9-16)13-15-6-10-17(11-7-15)24-19(21)22/h4-11H,1-3,12-13,20H2,(H,23,25)(H4,21,22,24)
InChIKeyBOPAPFLRKCXQSI-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.25
Rot. Bonds8

About 5-amino-N-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]pentanamide

5-amino-N-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]pentanamide (PubChem CID 71562054) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-amino-N-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]pentanamide.

Molecular Properties

Compound Name5-amino-N-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]pentanamide
PubChem CID71562054
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name5-amino-N-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]pentanamide
SMILESNCCCCC(=O)Nc1ccc(Cc2ccc(N=C(N)N)cc2)cc1
InChIInChI=1S/C19H25N5O/c20-12-2-1-3-18(25)23-16-8-4-14(5-9-16)13-15-6-10-17(11-7-15)24-19(21)22/h4-11H,1-3,12-13,20H2,(H,23,25)(H4,21,22,24)
InChIKeyBOPAPFLRKCXQSI-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

12-amino-N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]dodecanamide
CID 71562300
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
7-amino-N-[4-[(carbamoylamino)methyl]phenyl]heptanamide;hydrochloride
CID 119757592
4-(6-aminohexanoylamino)benzamide
CID 24702559
4-amino-N-[4-(carbamoylamino)phenyl]butanamide
CID 43711123
6-amino-N-(4-pentylphenyl)hexanamide
CID 61248961
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334
7-amino-N-(4-anilinophenyl)heptanamide
CID 119676142
4-amino-N-(4-aminophenyl)butanamide
CID 90105668
4-amino-N-[4-(methylcarbamoylamino)phenyl]butanamide
CID 43710929
4-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide
CID 43711207
3-bromo-N-[4-[[4-(3-bromopropanoylamino)phenyl]methyl]phenyl]propanamide
CID 139955588

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]pentanamide?
The IUPAC name of 5-amino-N-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]pentanamide (CID 71562054) is 5-amino-N-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]pentanamide.
What is the SMILES notation for 5-amino-N-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]pentanamide?
The canonical SMILES for 5-amino-N-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]pentanamide is NCCCCC(=O)Nc1ccc(Cc2ccc(N=C(N)N)cc2)cc1.
What is the InChIKey of 5-amino-N-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]pentanamide?
The InChIKey is BOPAPFLRKCXQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c20-12-2-1-3-18(25)23-16-8-4-14(5-9-16)13-15-6-10-17(11-7-15)24-19(21)22/h4-11H,1-3,12-13,20H2,(H,23,25)(H4,21,22,24).
What are the key properties of 5-amino-N-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]pentanamide?
5-amino-N-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]pentanamide has a molecular weight of 339.44 g/mol, XLogP of 2.25, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]pentanamide is sourced from PubChem (CID 71562054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).