2-(benzylamino)-5-(diaminomethylideneamino)-N-naphthalen-1-ylpentanamide

C23H27N5O — CID 175342859

IUPAC2-(benzylamino)-5-(diaminomethylideneamino)-N-naphthalen-1-ylpentanamide
SMILESNC(N)=NCCCC(NCc1ccccc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C23H27N5O/c24-23(25)26-15-7-14-21(27-16-17-8-2-1-3-9-17)22(29)28-20-13-6-11-18-10-4-5-12-19(18)20/h1-6,8-13,21,27H,7,14-16H2,(H,28,29)(H4,24,25,26)
InChIKeyHHYBETPNKZRYJQ-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.99
Rot. Bonds9

About 2-(benzylamino)-5-(diaminomethylideneamino)-N-naphthalen-1-ylpentanamide

2-(benzylamino)-5-(diaminomethylideneamino)-N-naphthalen-1-ylpentanamide (PubChem CID 175342859) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(benzylamino)-5-(diaminomethylideneamino)-N-naphthalen-1-ylpentanamide.

Molecular Properties

Compound Name2-(benzylamino)-5-(diaminomethylideneamino)-N-naphthalen-1-ylpentanamide
PubChem CID175342859
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2-(benzylamino)-5-(diaminomethylideneamino)-N-naphthalen-1-ylpentanamide
SMILESNC(N)=NCCCC(NCc1ccccc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C23H27N5O/c24-23(25)26-15-7-14-21(27-16-17-8-2-1-3-9-17)22(29)28-20-13-6-11-18-10-4-5-12-19(18)20/h1-6,8-13,21,27H,7,14-16H2,(H,28,29)(H4,24,25,26)
InChIKeyHHYBETPNKZRYJQ-UHFFFAOYSA-N
XLogP2.99
TPSA105.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.99
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

(2R)-5-(diaminomethylideneamino)-N-naphthalen-1-yl-2-(naphthalen-2-ylmethylamino)pentanamide
CID 101159513
5-(diaminomethylideneamino)-2-(3-phenylpropanoylamino)pentanoic acid
CID 142026144
(2R)-N-[[4-[(carbamoylamino)methyl]phenyl]methyl]-5-(diaminomethylideneamino)-2-[(2-oxo-3,3-diphenylpropyl)amino]pentanamide
CID 67615104
(2R)-5-(diaminomethylideneamino)-N-[(4-hydroxyphenyl)methyl]-2-(4-phenylbutanoylamino)pentanamide
CID 70277936
(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]pentanoic acid
CID 10359590
naphthalen-1-yl (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoate;hydrochloride
CID 70524230
(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-(ethylamino)-3-phenylpropanoyl]amino]pentanoic acid
CID 11725379
N-[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]naphthalene-1-carboxamide
CID 67153684
5-(diaminomethylideneamino)-2-(naphthalen-2-ylamino)pentanoic acid
CID 174579623
(2S)-5-(diaminomethylideneamino)-N-(2,2-diphenylacetyl)-2-[[4-(methylsulfamoylmethyl)phenyl]methylamino]pentanamide
CID 67615186
(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 14513775
naphthalen-1-yl (2S)-2-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoate;hydrochloride
CID 70523890

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-5-(diaminomethylideneamino)-N-naphthalen-1-ylpentanamide?
The IUPAC name of 2-(benzylamino)-5-(diaminomethylideneamino)-N-naphthalen-1-ylpentanamide (CID 175342859) is 2-(benzylamino)-5-(diaminomethylideneamino)-N-naphthalen-1-ylpentanamide.
What is the SMILES notation for 2-(benzylamino)-5-(diaminomethylideneamino)-N-naphthalen-1-ylpentanamide?
The canonical SMILES for 2-(benzylamino)-5-(diaminomethylideneamino)-N-naphthalen-1-ylpentanamide is NC(N)=NCCCC(NCc1ccccc1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-(benzylamino)-5-(diaminomethylideneamino)-N-naphthalen-1-ylpentanamide?
The InChIKey is HHYBETPNKZRYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c24-23(25)26-15-7-14-21(27-16-17-8-2-1-3-9-17)22(29)28-20-13-6-11-18-10-4-5-12-19(18)20/h1-6,8-13,21,27H,7,14-16H2,(H,28,29)(H4,24,25,26).
What are the key properties of 2-(benzylamino)-5-(diaminomethylideneamino)-N-naphthalen-1-ylpentanamide?
2-(benzylamino)-5-(diaminomethylideneamino)-N-naphthalen-1-ylpentanamide has a molecular weight of 389.50 g/mol, XLogP of 2.99, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-5-(diaminomethylideneamino)-N-naphthalen-1-ylpentanamide is sourced from PubChem (CID 175342859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).