[(4S)-4-azaniumyl-5-(naphthalen-2-ylamino)-5-oxopentyl]-(diaminomethylidene)azanium

C16H23N5O+2 — CID 7004201

IUPAC[(4S)-4-azaniumyl-5-(naphthalen-2-ylamino)-5-oxopentyl]-(diaminomethylidene)azanium
SMILESNC(N)=[NH+]CCC[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H21N5O/c17-14(6-3-9-20-16(18)19)15(22)21-13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,14H,3,6,9,17H2,(H,21,22)(H4,18,19,20)/p+2/t14-/m0/s1
InChIKeyDICSXQHGGOAUNU-AWEZNQCLSA-P
MW301.39 g/mol
LogP-1.48
Rot. Bonds6

About [(4S)-4-azaniumyl-5-(naphthalen-2-ylamino)-5-oxopentyl]-(diaminomethylidene)azanium

[(4S)-4-azaniumyl-5-(naphthalen-2-ylamino)-5-oxopentyl]-(diaminomethylidene)azanium (PubChem CID 7004201) has the molecular formula C16H23N5O+2 and a molecular weight of 301.39 g/mol. Its IUPAC name is [(4S)-4-azaniumyl-5-(naphthalen-2-ylamino)-5-oxopentyl]-(diaminomethylidene)azanium.

Molecular Properties

Compound Name[(4S)-4-azaniumyl-5-(naphthalen-2-ylamino)-5-oxopentyl]-(diaminomethylidene)azanium
PubChem CID7004201
Molecular FormulaC16H23N5O+2
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name[(4S)-4-azaniumyl-5-(naphthalen-2-ylamino)-5-oxopentyl]-(diaminomethylidene)azanium
SMILESNC(N)=[NH+]CCC[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H21N5O/c17-14(6-3-9-20-16(18)19)15(22)21-13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,14H,3,6,9,17H2,(H,21,22)(H4,18,19,20)/p+2/t14-/m0/s1
InChIKeyDICSXQHGGOAUNU-AWEZNQCLSA-P
XLogP-1.48
TPSA122.75 Ų
H-Bond Donors5
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 5-1.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 101

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

[4-azaniumyl-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxopentyl]-(diaminomethylidene)azanium
CID 176516516
2-amino-5-methoxy-N-naphthalen-2-ylpentanamide
CID 81083067
(2S)-2-amino-N-naphthalen-2-ylpentanediamide
CID 7020027
[(2R)-3-benzylsulfanyl-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium
CID 7408075
carbonic acid;(2S)-2,5-diamino-N-naphthalen-2-ylpentanamide
CID 90473324
[(2S)-3-(1H-imidazol-5-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium
CID 7015308
2-amino-5-(diaminomethylideneamino)-N-naphthalen-2-ylpentanamide;hydron;chloride
CID 74765110
(2R)-2-amino-3-methyl-N-naphthalen-2-ylbutanamide
CID 671224
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793
(2R)-2-(2-methoxyphenoxy)-N-naphthalen-2-ylpropanamide
CID 805506
2,3,3-trifluoro-N-naphthalen-2-ylpropanamide
CID 175396381
diaminomethylidene-[(4R)-5-oxo-5-(3-phenylmethoxycarbonylanilino)-4-[[2-[1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-yl]oxyacetyl]amino]pentyl]azanium
CID 135985620

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-azaniumyl-5-(naphthalen-2-ylamino)-5-oxopentyl]-(diaminomethylidene)azanium?
The IUPAC name of [(4S)-4-azaniumyl-5-(naphthalen-2-ylamino)-5-oxopentyl]-(diaminomethylidene)azanium (CID 7004201) is [(4S)-4-azaniumyl-5-(naphthalen-2-ylamino)-5-oxopentyl]-(diaminomethylidene)azanium.
What is the SMILES notation for [(4S)-4-azaniumyl-5-(naphthalen-2-ylamino)-5-oxopentyl]-(diaminomethylidene)azanium?
The canonical SMILES for [(4S)-4-azaniumyl-5-(naphthalen-2-ylamino)-5-oxopentyl]-(diaminomethylidene)azanium is NC(N)=[NH+]CCC[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of [(4S)-4-azaniumyl-5-(naphthalen-2-ylamino)-5-oxopentyl]-(diaminomethylidene)azanium?
The InChIKey is DICSXQHGGOAUNU-AWEZNQCLSA-P. The full InChI is InChI=1S/C16H21N5O/c17-14(6-3-9-20-16(18)19)15(22)21-13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,14H,3,6,9,17H2,(H,21,22)(H4,18,19,20)/p+2/t14-/m0/s1.
What are the key properties of [(4S)-4-azaniumyl-5-(naphthalen-2-ylamino)-5-oxopentyl]-(diaminomethylidene)azanium?
[(4S)-4-azaniumyl-5-(naphthalen-2-ylamino)-5-oxopentyl]-(diaminomethylidene)azanium has a molecular weight of 301.39 g/mol, XLogP of -1.48, 6 rotatable bonds, 5 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-azaniumyl-5-(naphthalen-2-ylamino)-5-oxopentyl]-(diaminomethylidene)azanium is sourced from PubChem (CID 7004201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).