2-amino-5-(diaminomethylideneamino)-N-[(1-tridecanoylpiperidin-2-yl)methyl]pentanamide

C25H50N6O2 — CID 15072987

IUPAC2-amino-5-(diaminomethylideneamino)-N-[(1-tridecanoylpiperidin-2-yl)methyl]pentanamide
SMILESCCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)C(N)CCCN=C(N)N
InChIInChI=1S/C25H50N6O2/c1-2-3-4-5-6-7-8-9-10-11-17-23(32)31-19-13-12-15-21(31)20-30-24(33)22(26)16-14-18-29-25(27)28/h21-22H,2-20,26H2,1H3,(H,30,33)(H4,27,28,29)
InChIKeyKJOIXGYPGBBKHG-UHFFFAOYSA-N
MW466.72 g/mol
LogP3.18
Rot. Bonds18

About 2-amino-5-(diaminomethylideneamino)-N-[(1-tridecanoylpiperidin-2-yl)methyl]pentanamide

2-amino-5-(diaminomethylideneamino)-N-[(1-tridecanoylpiperidin-2-yl)methyl]pentanamide (PubChem CID 15072987) has the molecular formula C25H50N6O2 and a molecular weight of 466.72 g/mol. Its IUPAC name is 2-amino-5-(diaminomethylideneamino)-N-[(1-tridecanoylpiperidin-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-5-(diaminomethylideneamino)-N-[(1-tridecanoylpiperidin-2-yl)methyl]pentanamide
PubChem CID15072987
Molecular FormulaC25H50N6O2
Molecular Weight466.72 g/mol
Exact Mass466.40
IUPAC Name2-amino-5-(diaminomethylideneamino)-N-[(1-tridecanoylpiperidin-2-yl)methyl]pentanamide
SMILESCCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)C(N)CCCN=C(N)N
InChIInChI=1S/C25H50N6O2/c1-2-3-4-5-6-7-8-9-10-11-17-23(32)31-19-13-12-15-21(31)20-30-24(33)22(26)16-14-18-29-25(27)28/h21-22H,2-20,26H2,1H3,(H,30,33)(H4,27,28,29)
InChIKeyKJOIXGYPGBBKHG-UHFFFAOYSA-N
XLogP3.18
TPSA139.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.72
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

2,6-diamino-N-[(1-tetradecanoylpiperidin-2-yl)methyl]hexanamide;dihydrochloride
CID 19778254
1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one
CID 65428283
1-[2-(chloromethyl)piperidin-1-yl]octan-1-one
CID 63395144
1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one
CID 129384436
1-[2-(aminomethyl)piperidin-1-yl]decan-1-one
CID 65428281
(2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide
CID 22801050
N-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]icosanamide
CID 139764090
3-amino-N-[(1-tridecanoylpiperidin-2-yl)methyl]propanamide;(E)-but-2-enedioic acid
CID 19778253
N-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]octadecanamide;hydrochloride
CID 173028018
2-[[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 164549554
1-[2-(2-hydroxypropyl)piperidin-1-yl]nonan-1-one
CID 79536446
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(diaminomethylideneamino)-N-[(1-tridecanoylpiperidin-2-yl)methyl]pentanamide?
The IUPAC name of 2-amino-5-(diaminomethylideneamino)-N-[(1-tridecanoylpiperidin-2-yl)methyl]pentanamide (CID 15072987) is 2-amino-5-(diaminomethylideneamino)-N-[(1-tridecanoylpiperidin-2-yl)methyl]pentanamide.
What is the SMILES notation for 2-amino-5-(diaminomethylideneamino)-N-[(1-tridecanoylpiperidin-2-yl)methyl]pentanamide?
The canonical SMILES for 2-amino-5-(diaminomethylideneamino)-N-[(1-tridecanoylpiperidin-2-yl)methyl]pentanamide is CCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)C(N)CCCN=C(N)N.
What is the InChIKey of 2-amino-5-(diaminomethylideneamino)-N-[(1-tridecanoylpiperidin-2-yl)methyl]pentanamide?
The InChIKey is KJOIXGYPGBBKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50N6O2/c1-2-3-4-5-6-7-8-9-10-11-17-23(32)31-19-13-12-15-21(31)20-30-24(33)22(26)16-14-18-29-25(27)28/h21-22H,2-20,26H2,1H3,(H,30,33)(H4,27,28,29).
What are the key properties of 2-amino-5-(diaminomethylideneamino)-N-[(1-tridecanoylpiperidin-2-yl)methyl]pentanamide?
2-amino-5-(diaminomethylideneamino)-N-[(1-tridecanoylpiperidin-2-yl)methyl]pentanamide has a molecular weight of 466.72 g/mol, XLogP of 3.18, 18 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(diaminomethylideneamino)-N-[(1-tridecanoylpiperidin-2-yl)methyl]pentanamide is sourced from PubChem (CID 15072987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).