N-[3-amino-3-(diaminomethylideneamino)propyl]acetamide

C6H15N5O — CID 57105122

IUPACN-[3-amino-3-(diaminomethylideneamino)propyl]acetamide
SMILESCC(=O)NCCC(N)N=C(N)N
InChIInChI=1S/C6H15N5O/c1-4(12)10-3-2-5(7)11-6(8)9/h5H,2-3,7H2,1H3,(H,10,12)(H4,8,9,11)
InChIKeyNHGRYZVYINCSRE-UHFFFAOYSA-N
MW173.22 g/mol
LogP-1.93
Rot. Bonds4

About N-[3-amino-3-(diaminomethylideneamino)propyl]acetamide

N-[3-amino-3-(diaminomethylideneamino)propyl]acetamide (PubChem CID 57105122) has the molecular formula C6H15N5O and a molecular weight of 173.22 g/mol. Its IUPAC name is N-[3-amino-3-(diaminomethylideneamino)propyl]acetamide.

Molecular Properties

Compound NameN-[3-amino-3-(diaminomethylideneamino)propyl]acetamide
PubChem CID57105122
Molecular FormulaC6H15N5O
Molecular Weight173.22 g/mol
Exact Mass173.13
IUPAC NameN-[3-amino-3-(diaminomethylideneamino)propyl]acetamide
SMILESCC(=O)NCCC(N)N=C(N)N
InChIInChI=1S/C6H15N5O/c1-4(12)10-3-2-5(7)11-6(8)9/h5H,2-3,7H2,1H3,(H,10,12)(H4,8,9,11)
InChIKeyNHGRYZVYINCSRE-UHFFFAOYSA-N
XLogP-1.93
TPSA119.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-1.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[3-amino-3-(diaminomethylideneamino)propyl]acetamide?
The IUPAC name of N-[3-amino-3-(diaminomethylideneamino)propyl]acetamide (CID 57105122) is N-[3-amino-3-(diaminomethylideneamino)propyl]acetamide.
What is the SMILES notation for N-[3-amino-3-(diaminomethylideneamino)propyl]acetamide?
The canonical SMILES for N-[3-amino-3-(diaminomethylideneamino)propyl]acetamide is CC(=O)NCCC(N)N=C(N)N.
What is the InChIKey of N-[3-amino-3-(diaminomethylideneamino)propyl]acetamide?
The InChIKey is NHGRYZVYINCSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5O/c1-4(12)10-3-2-5(7)11-6(8)9/h5H,2-3,7H2,1H3,(H,10,12)(H4,8,9,11).
What are the key properties of N-[3-amino-3-(diaminomethylideneamino)propyl]acetamide?
N-[3-amino-3-(diaminomethylideneamino)propyl]acetamide has a molecular weight of 173.22 g/mol, XLogP of -1.93, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-3-(diaminomethylideneamino)propyl]acetamide is sourced from PubChem (CID 57105122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).