6-(diaminomethylamino)hexanamide

C7H18N4O — CID 135228414

IUPAC6-(diaminomethylamino)hexanamide
SMILESNC(=O)CCCCCNC(N)N
InChIInChI=1S/C7H18N4O/c8-6(12)4-2-1-3-5-11-7(9)10/h7,11H,1-5,9-10H2,(H2,8,12)
InChIKeyFXPMNLKXLVIKHN-UHFFFAOYSA-N
MW174.25 g/mol
LogP-1.18
Rot. Bonds7

About 6-(diaminomethylamino)hexanamide

6-(diaminomethylamino)hexanamide (PubChem CID 135228414) has the molecular formula C7H18N4O and a molecular weight of 174.25 g/mol. Its IUPAC name is 6-(diaminomethylamino)hexanamide.

Molecular Properties

Compound Name6-(diaminomethylamino)hexanamide
PubChem CID135228414
Molecular FormulaC7H18N4O
Molecular Weight174.25 g/mol
Exact Mass174.15
IUPAC Name6-(diaminomethylamino)hexanamide
SMILESNC(=O)CCCCCNC(N)N
InChIInChI=1S/C7H18N4O/c8-6(12)4-2-1-3-5-11-7(9)10/h7,11H,1-5,9-10H2,(H2,8,12)
InChIKeyFXPMNLKXLVIKHN-UHFFFAOYSA-N
XLogP-1.18
TPSA107.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 6-(diaminomethylamino)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

docosanediamide;hexacosanediamide
CID 129179979
dodecanediamide;nonanediamide
CID 175017820
nonatetracontanediamide
CID 162734608
pentadecanediamide
CID 87429217
6-(hydroxyamino)hexanamide
CID 167194445
7-hydrazinylheptanamide
CID 22099097
copper;tridecanediamide
CID 159780260
3-[(5-amino-5-oxopentyl)amino]butanoic acid
CID 106237220
5-(hexan-2-ylamino)pentanamide
CID 106234439
5-(1,1-dimethoxypropan-2-ylamino)pentanamide
CID 106234795
N"-octylmethanetriamine
CID 139788026
12-hydrazinyldodecanamide;methanimine
CID 177324846

Frequently Asked Questions

What is the IUPAC name of 6-(diaminomethylamino)hexanamide?
The IUPAC name of 6-(diaminomethylamino)hexanamide (CID 135228414) is 6-(diaminomethylamino)hexanamide.
What is the SMILES notation for 6-(diaminomethylamino)hexanamide?
The canonical SMILES for 6-(diaminomethylamino)hexanamide is NC(=O)CCCCCNC(N)N.
What is the InChIKey of 6-(diaminomethylamino)hexanamide?
The InChIKey is FXPMNLKXLVIKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O/c8-6(12)4-2-1-3-5-11-7(9)10/h7,11H,1-5,9-10H2,(H2,8,12).
What are the key properties of 6-(diaminomethylamino)hexanamide?
6-(diaminomethylamino)hexanamide has a molecular weight of 174.25 g/mol, XLogP of -1.18, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diaminomethylamino)hexanamide is sourced from PubChem (CID 135228414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).