N-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide

C12H24N4O — CID 111752274

IUPACN-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide
SMILESCCC/N=C(\N)NCCCNC(=O)C1CCC1
InChIInChI=1S/C12H24N4O/c1-2-7-15-12(13)16-9-4-8-14-11(17)10-5-3-6-10/h10H,2-9H2,1H3,(H,14,17)(H3,13,15,16)
InChIKeyDDBKWKVWBLBJQX-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.61
Rot. Bonds7

About N-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide

N-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide (PubChem CID 111752274) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide
PubChem CID111752274
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC NameN-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide
SMILESCCC/N=C(\N)NCCCNC(=O)C1CCC1
InChIInChI=1S/C12H24N4O/c1-2-7-15-12(13)16-9-4-8-14-11(17)10-5-3-6-10/h10H,2-9H2,1H3,(H,14,17)(H3,13,15,16)
InChIKeyDDBKWKVWBLBJQX-UHFFFAOYSA-N
XLogP0.61
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-[3-[[amino-(3-methylbutylamino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752297
N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
CID 111030516
1-(3-cyclopropylpropyl)-2-propylguanidine
CID 115679595
1-(3-cyclohexylpropyl)-2-propylguanidine
CID 111062802
1-[3-[cyclohexyl(methyl)amino]propyl]-2-propylguanidine
CID 55063814
1-[4-(2-methylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide
CID 111060060
5-[(N'-propylcarbamimidoyl)amino]pentanoic acid
CID 163528176
N-[3-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752321
N-[3-[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752348
N-[3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752258
N-propylcyclooctanecarboxamide
CID 65022755
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073

Frequently Asked Questions

What is the IUPAC name of N-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide (CID 111752274) is N-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide is CCC/N=C(\N)NCCCNC(=O)C1CCC1.
What is the InChIKey of N-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide?
The InChIKey is DDBKWKVWBLBJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-2-7-15-12(13)16-9-4-8-14-11(17)10-5-3-6-10/h10H,2-9H2,1H3,(H,14,17)(H3,13,15,16).
What are the key properties of N-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide?
N-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 111752274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).