N-[3-(diethylamino)propyl]-2-(N'-hydroxycarbamimidoyl)pentanamide

C13H28N4O2 — CID 76926351

IUPACN-[3-(diethylamino)propyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
SMILESCCCC(C(=O)NCCCN(CC)CC)C(N)=NO
InChIInChI=1S/C13H28N4O2/c1-4-8-11(12(14)16-19)13(18)15-9-7-10-17(5-2)6-3/h11,19H,4-10H2,1-3H3,(H2,14,16)(H,15,18)
InChIKeyCHCOBGCVJCQRAS-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.00
Rot. Bonds10

About N-[3-(diethylamino)propyl]-2-(N'-hydroxycarbamimidoyl)pentanamide

N-[3-(diethylamino)propyl]-2-(N'-hydroxycarbamimidoyl)pentanamide (PubChem CID 76926351) has the molecular formula C13H28N4O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-(N'-hydroxycarbamimidoyl)pentanamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
PubChem CID76926351
Molecular FormulaC13H28N4O2
Molecular Weight272.39 g/mol
Exact Mass272.22
IUPAC NameN-[3-(diethylamino)propyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
SMILESCCCC(C(=O)NCCCN(CC)CC)C(N)=NO
InChIInChI=1S/C13H28N4O2/c1-4-8-11(12(14)16-19)13(18)15-9-7-10-17(5-2)6-3/h11,19H,4-10H2,1-3H3,(H2,14,16)(H,15,18)
InChIKeyCHCOBGCVJCQRAS-UHFFFAOYSA-N
XLogP1.00
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(N'-hydroxycarbamimidoyl)-N-(2-methylsulfonylethyl)pentanamide
CID 76926405
2-(N'-hydroxycarbamimidoyl)-N-(3-phenylpropyl)pentanamide
CID 76925665
2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79350952
N-(2-ethylhexyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 107817673
2-(N'-hydroxycarbamimidoyl)-N-(3-morpholin-4-ylpropyl)pentanamide
CID 76925048
N-(2-ethoxy-2-methylpropyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 104985210
2-(N'-hydroxycarbamimidoyl)-N-(2-piperidin-1-ylethyl)pentanamide
CID 76925702
(2S)-2-amino-N-[3-(diethylamino)propyl]butanamide
CID 79025244
N-[3-(diethylamino)propyl]-2,2-difluoroacetamide
CID 103600714
3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide
CID 114134867
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 105419941
N-[2-(2-fluorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926629

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-(N'-hydroxycarbamimidoyl)pentanamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-(N'-hydroxycarbamimidoyl)pentanamide (CID 76926351) is N-[3-(diethylamino)propyl]-2-(N'-hydroxycarbamimidoyl)pentanamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-(N'-hydroxycarbamimidoyl)pentanamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-(N'-hydroxycarbamimidoyl)pentanamide is CCCC(C(=O)NCCCN(CC)CC)C(N)=NO.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-(N'-hydroxycarbamimidoyl)pentanamide?
The InChIKey is CHCOBGCVJCQRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2/c1-4-8-11(12(14)16-19)13(18)15-9-7-10-17(5-2)6-3/h11,19H,4-10H2,1-3H3,(H2,14,16)(H,15,18).
What are the key properties of N-[3-(diethylamino)propyl]-2-(N'-hydroxycarbamimidoyl)pentanamide?
N-[3-(diethylamino)propyl]-2-(N'-hydroxycarbamimidoyl)pentanamide has a molecular weight of 272.39 g/mol, XLogP of 1.00, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-(N'-hydroxycarbamimidoyl)pentanamide is sourced from PubChem (CID 76926351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).