N-[4-(diaminomethylideneamino)butyl]-2-methylbutanamide

C10H22N4O — CID 23553915

IUPACN-[4-(diaminomethylideneamino)butyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCCCCN=C(N)N
InChIInChI=1S/C10H22N4O/c1-3-8(2)9(15)13-6-4-5-7-14-10(11)12/h8H,3-7H2,1-2H3,(H,13,15)(H4,11,12,14)
InChIKeyOUQVMWMUDHDRSG-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.20
Rot. Bonds7

About N-[4-(diaminomethylideneamino)butyl]-2-methylbutanamide

N-[4-(diaminomethylideneamino)butyl]-2-methylbutanamide (PubChem CID 23553915) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[4-(diaminomethylideneamino)butyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[4-(diaminomethylideneamino)butyl]-2-methylbutanamide
PubChem CID23553915
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC NameN-[4-(diaminomethylideneamino)butyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCCCCN=C(N)N
InChIInChI=1S/C10H22N4O/c1-3-8(2)9(15)13-6-4-5-7-14-10(11)12/h8H,3-7H2,1-2H3,(H,13,15)(H4,11,12,14)
InChIKeyOUQVMWMUDHDRSG-UHFFFAOYSA-N
XLogP0.20
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.20
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(diaminomethylideneamino)butyl]-2-methylbutanamide?
The IUPAC name of N-[4-(diaminomethylideneamino)butyl]-2-methylbutanamide (CID 23553915) is N-[4-(diaminomethylideneamino)butyl]-2-methylbutanamide.
What is the SMILES notation for N-[4-(diaminomethylideneamino)butyl]-2-methylbutanamide?
The canonical SMILES for N-[4-(diaminomethylideneamino)butyl]-2-methylbutanamide is CCC(C)C(=O)NCCCCN=C(N)N.
What is the InChIKey of N-[4-(diaminomethylideneamino)butyl]-2-methylbutanamide?
The InChIKey is OUQVMWMUDHDRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-3-8(2)9(15)13-6-4-5-7-14-10(11)12/h8H,3-7H2,1-2H3,(H,13,15)(H4,11,12,14).
What are the key properties of N-[4-(diaminomethylideneamino)butyl]-2-methylbutanamide?
N-[4-(diaminomethylideneamino)butyl]-2-methylbutanamide has a molecular weight of 214.31 g/mol, XLogP of 0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diaminomethylideneamino)butyl]-2-methylbutanamide is sourced from PubChem (CID 23553915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).