6-(diaminomethylideneamino)-N-[4-[(2-phenylacetyl)amino]butyl]hexanamide

C19H31N5O2 — CID 10832446

IUPAC6-(diaminomethylideneamino)-N-[4-[(2-phenylacetyl)amino]butyl]hexanamide
SMILESNC(N)=NCCCCCC(=O)NCCCCNC(=O)Cc1ccccc1
InChIInChI=1S/C19H31N5O2/c20-19(21)24-14-6-2-5-11-17(25)22-12-7-8-13-23-18(26)15-16-9-3-1-4-10-16/h1,3-4,9-10H,2,5-8,11-15H2,(H,22,25)(H,23,26)(H4,20,21,24)
InChIKeyQCMVRFZVITWBTQ-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.08
Rot. Bonds13

About 6-(diaminomethylideneamino)-N-[4-[(2-phenylacetyl)amino]butyl]hexanamide

6-(diaminomethylideneamino)-N-[4-[(2-phenylacetyl)amino]butyl]hexanamide (PubChem CID 10832446) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 6-(diaminomethylideneamino)-N-[4-[(2-phenylacetyl)amino]butyl]hexanamide.

Molecular Properties

Compound Name6-(diaminomethylideneamino)-N-[4-[(2-phenylacetyl)amino]butyl]hexanamide
PubChem CID10832446
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name6-(diaminomethylideneamino)-N-[4-[(2-phenylacetyl)amino]butyl]hexanamide
SMILESNC(N)=NCCCCCC(=O)NCCCCNC(=O)Cc1ccccc1
InChIInChI=1S/C19H31N5O2/c20-19(21)24-14-6-2-5-11-17(25)22-12-7-8-13-23-18(26)15-16-9-3-1-4-10-16/h1,3-4,9-10H,2,5-8,11-15H2,(H,22,25)(H,23,26)(H4,20,21,24)
InChIKeyQCMVRFZVITWBTQ-UHFFFAOYSA-N
XLogP1.08
TPSA122.60 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.08
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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Frequently Asked Questions

What is the IUPAC name of 6-(diaminomethylideneamino)-N-[4-[(2-phenylacetyl)amino]butyl]hexanamide?
The IUPAC name of 6-(diaminomethylideneamino)-N-[4-[(2-phenylacetyl)amino]butyl]hexanamide (CID 10832446) is 6-(diaminomethylideneamino)-N-[4-[(2-phenylacetyl)amino]butyl]hexanamide.
What is the SMILES notation for 6-(diaminomethylideneamino)-N-[4-[(2-phenylacetyl)amino]butyl]hexanamide?
The canonical SMILES for 6-(diaminomethylideneamino)-N-[4-[(2-phenylacetyl)amino]butyl]hexanamide is NC(N)=NCCCCCC(=O)NCCCCNC(=O)Cc1ccccc1.
What is the InChIKey of 6-(diaminomethylideneamino)-N-[4-[(2-phenylacetyl)amino]butyl]hexanamide?
The InChIKey is QCMVRFZVITWBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c20-19(21)24-14-6-2-5-11-17(25)22-12-7-8-13-23-18(26)15-16-9-3-1-4-10-16/h1,3-4,9-10H,2,5-8,11-15H2,(H,22,25)(H,23,26)(H4,20,21,24).
What are the key properties of 6-(diaminomethylideneamino)-N-[4-[(2-phenylacetyl)amino]butyl]hexanamide?
6-(diaminomethylideneamino)-N-[4-[(2-phenylacetyl)amino]butyl]hexanamide has a molecular weight of 361.49 g/mol, XLogP of 1.08, 13 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diaminomethylideneamino)-N-[4-[(2-phenylacetyl)amino]butyl]hexanamide is sourced from PubChem (CID 10832446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).