3-amino-N-[5-(diaminomethylideneamino)pentan-2-yl]propanamide

C9H21N5O — CID 134386605

IUPAC3-amino-N-[5-(diaminomethylideneamino)pentan-2-yl]propanamide
SMILESCC(CCCN=C(N)N)NC(=O)CCN
InChIInChI=1S/C9H21N5O/c1-7(14-8(15)4-5-10)3-2-6-13-9(11)12/h7H,2-6,10H2,1H3,(H,14,15)(H4,11,12,13)
InChIKeyMDNWZGAMEXGALX-UHFFFAOYSA-N
MW215.30 g/mol
LogP-1.11
Rot. Bonds7

About 3-amino-N-[5-(diaminomethylideneamino)pentan-2-yl]propanamide

3-amino-N-[5-(diaminomethylideneamino)pentan-2-yl]propanamide (PubChem CID 134386605) has the molecular formula C9H21N5O and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-amino-N-[5-(diaminomethylideneamino)pentan-2-yl]propanamide.

Molecular Properties

Compound Name3-amino-N-[5-(diaminomethylideneamino)pentan-2-yl]propanamide
PubChem CID134386605
Molecular FormulaC9H21N5O
Molecular Weight215.30 g/mol
Exact Mass215.17
IUPAC Name3-amino-N-[5-(diaminomethylideneamino)pentan-2-yl]propanamide
SMILESCC(CCCN=C(N)N)NC(=O)CCN
InChIInChI=1S/C9H21N5O/c1-7(14-8(15)4-5-10)3-2-6-13-9(11)12/h7H,2-6,10H2,1H3,(H,14,15)(H4,11,12,13)
InChIKeyMDNWZGAMEXGALX-UHFFFAOYSA-N
XLogP-1.11
TPSA119.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

N'-[4-(3-aminopropylamino)butyl]-N-[6-(diaminomethylideneamino)hexyl]propanediamide
CID 9820785
N'-[4-[[(3R)-3-aminobutyl]amino]butyl]-N-[6-(diaminomethylideneamino)hexyl]propanediamide
CID 10762687
N'-[4-(3-aminobutylamino)butyl]-N-[6-(diaminomethylideneamino)hexyl]propanediamide
CID 19043129
3-[4-(3-aminopropylamino)butylamino]-N-[6-(diaminomethylideneamino)hexyl]propanamide
CID 10498567
N'-[4-(4-aminobutan-2-ylamino)butyl]-N-[6-(diaminomethylideneamino)hexyl]propanediamide
CID 10524157
N'-[4-[3-aminopropyl(methyl)amino]butyl]-N-[6-(diaminomethylideneamino)hexyl]propanediamide
CID 10572165
N'-[4-(3-aminopropylamino)butyl]-N-[6-(diaminomethylideneamino)hexyl]-N'-methylpropanediamide
CID 10620132
N-[4-(3-aminopropylamino)butyl]-N'-[6-(diaminomethylideneamino)hexyl]-N'-methylpropanediamide
CID 10667823
N'-[4-(3-aminopropylamino)pentyl]-N-[6-(diaminomethylideneamino)hexyl]propanediamide
CID 10786349
N'-[5-(3-aminopropylamino)pentan-2-yl]-N-[6-(diaminomethylideneamino)hexyl]propanediamide
CID 10810145
N'-[4-[[(3S)-3-aminobutyl]amino]butyl]-N-[6-(diaminomethylideneamino)hexyl]propanediamide
CID 10810146
Propanoylagmatine
CID 439760

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(diaminomethylideneamino)pentan-2-yl]propanamide?
The IUPAC name of 3-amino-N-[5-(diaminomethylideneamino)pentan-2-yl]propanamide (CID 134386605) is 3-amino-N-[5-(diaminomethylideneamino)pentan-2-yl]propanamide.
What is the SMILES notation for 3-amino-N-[5-(diaminomethylideneamino)pentan-2-yl]propanamide?
The canonical SMILES for 3-amino-N-[5-(diaminomethylideneamino)pentan-2-yl]propanamide is CC(CCCN=C(N)N)NC(=O)CCN.
What is the InChIKey of 3-amino-N-[5-(diaminomethylideneamino)pentan-2-yl]propanamide?
The InChIKey is MDNWZGAMEXGALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5O/c1-7(14-8(15)4-5-10)3-2-6-13-9(11)12/h7H,2-6,10H2,1H3,(H,14,15)(H4,11,12,13).
What are the key properties of 3-amino-N-[5-(diaminomethylideneamino)pentan-2-yl]propanamide?
3-amino-N-[5-(diaminomethylideneamino)pentan-2-yl]propanamide has a molecular weight of 215.30 g/mol, XLogP of -1.11, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(diaminomethylideneamino)pentan-2-yl]propanamide is sourced from PubChem (CID 134386605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).