N-[5-(diaminomethylideneamino)pentan-2-yl]-2,2-dimethylpropanamide

C11H24N4O — CID 89004304

IUPACN-[5-(diaminomethylideneamino)pentan-2-yl]-2,2-dimethylpropanamide
SMILESCC(CCCN=C(N)N)NC(=O)C(C)(C)C
InChIInChI=1S/C11H24N4O/c1-8(6-5-7-14-10(12)13)15-9(16)11(2,3)4/h8H,5-7H2,1-4H3,(H,15,16)(H4,12,13,14)
InChIKeyMPSYESUFRLEKDJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.59
Rot. Bonds5

About N-[5-(diaminomethylideneamino)pentan-2-yl]-2,2-dimethylpropanamide

N-[5-(diaminomethylideneamino)pentan-2-yl]-2,2-dimethylpropanamide (PubChem CID 89004304) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[5-(diaminomethylideneamino)pentan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(diaminomethylideneamino)pentan-2-yl]-2,2-dimethylpropanamide
PubChem CID89004304
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC NameN-[5-(diaminomethylideneamino)pentan-2-yl]-2,2-dimethylpropanamide
SMILESCC(CCCN=C(N)N)NC(=O)C(C)(C)C
InChIInChI=1S/C11H24N4O/c1-8(6-5-7-14-10(12)13)15-9(16)11(2,3)4/h8H,5-7H2,1-4H3,(H,15,16)(H4,12,13,14)
InChIKeyMPSYESUFRLEKDJ-UHFFFAOYSA-N
XLogP0.59
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

Propanoylagmatine
CID 439760
N-[5-(diaminomethylideneamino)-1,1-difluoropentan-2-yl]acetamide
CID 22752152
2-amino-5-(diaminomethylideneamino)-N-propan-2-ylpentanamide
CID 18343481
2-amino-5-(diaminomethylideneamino)-N-ethylpentanamide
CID 19753743
2-[3-[4-(Methylamino)piperidin-1-yl]-3-oxopropyl]guanidine
CID 20641635
2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide
CID 21291317
(2S)-2-amino-5-(diaminomethylideneamino)-N-ethylpentanamide
CID 21971663
(2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide
CID 22801050
N-[6-(diaminomethylideneamino)hexyl]acetamide
CID 23195109
N-[4-(diaminomethylideneamino)butyl]-2,2-dimethylbutanamide
CID 23553913
N-[2-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)ethyl]-2,2-dimethylpropanamide
CID 23590357
N-[4-amino-4-(diaminomethylideneamino)butan-2-yl]acetamide
CID 53801912

Frequently Asked Questions

What is the IUPAC name of N-[5-(diaminomethylideneamino)pentan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(diaminomethylideneamino)pentan-2-yl]-2,2-dimethylpropanamide (CID 89004304) is N-[5-(diaminomethylideneamino)pentan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(diaminomethylideneamino)pentan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(diaminomethylideneamino)pentan-2-yl]-2,2-dimethylpropanamide is CC(CCCN=C(N)N)NC(=O)C(C)(C)C.
What is the InChIKey of N-[5-(diaminomethylideneamino)pentan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is MPSYESUFRLEKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-8(6-5-7-14-10(12)13)15-9(16)11(2,3)4/h8H,5-7H2,1-4H3,(H,15,16)(H4,12,13,14).
What are the key properties of N-[5-(diaminomethylideneamino)pentan-2-yl]-2,2-dimethylpropanamide?
N-[5-(diaminomethylideneamino)pentan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 228.34 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diaminomethylideneamino)pentan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 89004304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).