N,N'-diamino-3-(benzylamino)propanimidamide

C10H17N5 — CID 156850066

IUPACN,N'-diamino-3-(benzylamino)propanimidamide
SMILESN/N=C(/CCNCc1ccccc1)NN
InChIInChI=1S/C10H17N5/c11-14-10(15-12)6-7-13-8-9-4-2-1-3-5-9/h1-5,13H,6-8,11-12H2,(H,14,15)
InChIKeyYJYRHAKRMGBRIU-UHFFFAOYSA-N
MW207.28 g/mol
LogP-0.10
Rot. Bonds5

About N,N'-diamino-3-(benzylamino)propanimidamide

N,N'-diamino-3-(benzylamino)propanimidamide (PubChem CID 156850066) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is N,N'-diamino-3-(benzylamino)propanimidamide.

Molecular Properties

Compound NameN,N'-diamino-3-(benzylamino)propanimidamide
PubChem CID156850066
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC NameN,N'-diamino-3-(benzylamino)propanimidamide
SMILESN/N=C(/CCNCc1ccccc1)NN
InChIInChI=1S/C10H17N5/c11-14-10(15-12)6-7-13-8-9-4-2-1-3-5-9/h1-5,13H,6-8,11-12H2,(H,14,15)
InChIKeyYJYRHAKRMGBRIU-UHFFFAOYSA-N
XLogP-0.10
TPSA88.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-benzylethane-1,2-diamine;dihydrochloride
CID 161258578
2-(benzylamino)acetohydrazide
CID 15118563
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
N-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine
CID 57123635
3-(benzylamino)-N-(2-phenylethyl)propanamide
CID 109018924
N-benzyl-1-phenylmethanamine;dichlorotitanium
CID 174633271
3-(benzylamino)-1-(3-hydroxyphenyl)propan-1-one
CID 53446398
3-[[4-[(2-carboxyethylamino)methyl]phenyl]methylamino]propanoic acid
CID 68738006
N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173
4-(benzylamino)butane-1-sulfonic acid
CID 11368524
N'-benzyldodecane-1,12-diamine
CID 10589617

Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-3-(benzylamino)propanimidamide?
The IUPAC name of N,N'-diamino-3-(benzylamino)propanimidamide (CID 156850066) is N,N'-diamino-3-(benzylamino)propanimidamide.
What is the SMILES notation for N,N'-diamino-3-(benzylamino)propanimidamide?
The canonical SMILES for N,N'-diamino-3-(benzylamino)propanimidamide is N/N=C(/CCNCc1ccccc1)NN.
What is the InChIKey of N,N'-diamino-3-(benzylamino)propanimidamide?
The InChIKey is YJYRHAKRMGBRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c11-14-10(15-12)6-7-13-8-9-4-2-1-3-5-9/h1-5,13H,6-8,11-12H2,(H,14,15).
What are the key properties of N,N'-diamino-3-(benzylamino)propanimidamide?
N,N'-diamino-3-(benzylamino)propanimidamide has a molecular weight of 207.28 g/mol, XLogP of -0.10, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-3-(benzylamino)propanimidamide is sourced from PubChem (CID 156850066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).