N-[3-(diethylamino)propyl]-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide

C14H28N4O2 — CID 80590364

IUPACN-[3-(diethylamino)propyl]-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
SMILESCCN(CC)CCCNC(=O)C1(C(N)=NO)CC(C)C1
InChIInChI=1S/C14H28N4O2/c1-4-18(5-2)8-6-7-16-13(19)14(12(15)17-20)9-11(3)10-14/h11,20H,4-10H2,1-3H3,(H2,15,17)(H,16,19)
InChIKeyPNJDISNMEMKLJQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.00
Rot. Bonds8

About N-[3-(diethylamino)propyl]-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide

N-[3-(diethylamino)propyl]-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide (PubChem CID 80590364) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
PubChem CID80590364
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC NameN-[3-(diethylamino)propyl]-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
SMILESCCN(CC)CCCNC(=O)C1(C(N)=NO)CC(C)C1
InChIInChI=1S/C14H28N4O2/c1-4-18(5-2)8-6-7-16-13(19)14(12(15)17-20)9-11(3)10-14/h11,20H,4-10H2,1-3H3,(H2,15,17)(H,16,19)
InChIKeyPNJDISNMEMKLJQ-UHFFFAOYSA-N
XLogP1.00
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide (CID 80590364) is N-[3-(diethylamino)propyl]-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide is CCN(CC)CCCNC(=O)C1(C(N)=NO)CC(C)C1.
What is the InChIKey of N-[3-(diethylamino)propyl]-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide?
The InChIKey is PNJDISNMEMKLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-4-18(5-2)8-6-7-16-13(19)14(12(15)17-20)9-11(3)10-14/h11,20H,4-10H2,1-3H3,(H2,15,17)(H,16,19).
What are the key properties of N-[3-(diethylamino)propyl]-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide?
N-[3-(diethylamino)propyl]-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 1.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80590364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).