N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]propanamide;hydroiodide

C14H31IN4O — CID 111002734

IUPACN-butan-2-yl-3-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]propanamide;hydroiodide
SMILESCCC(C)NC(=O)CCN/C(=N\C)NC(C)C(C)C.I
InChIInChI=1S/C14H30N4O.HI/c1-7-11(4)17-13(19)8-9-16-14(15-6)18-12(5)10(2)3;/h10-12H,7-9H2,1-6H3,(H,17,19)(H2,15,16,18);1H
InChIKeySNFPWPLALYPXPD-UHFFFAOYSA-N
MW398.33 g/mol
LogP2.12
Rot. Bonds7

About N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]propanamide;hydroiodide

N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]propanamide;hydroiodide (PubChem CID 111002734) has the molecular formula C14H31IN4O and a molecular weight of 398.33 g/mol. Its IUPAC name is N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]propanamide;hydroiodide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]propanamide;hydroiodide
PubChem CID111002734
Molecular FormulaC14H31IN4O
Molecular Weight398.33 g/mol
Exact Mass398.15
IUPAC NameN-butan-2-yl-3-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]propanamide;hydroiodide
SMILESCCC(C)NC(=O)CCN/C(=N\C)NC(C)C(C)C.I
InChIInChI=1S/C14H30N4O.HI/c1-7-11(4)17-13(19)8-9-16-14(15-6)18-12(5)10(2)3;/h10-12H,7-9H2,1-6H3,(H,17,19)(H2,15,16,18);1H
InChIKeySNFPWPLALYPXPD-UHFFFAOYSA-N
XLogP2.12
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]propanamide;hydroiodide?
The IUPAC name of N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]propanamide;hydroiodide (CID 111002734) is N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]propanamide;hydroiodide.
What is the SMILES notation for N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]propanamide;hydroiodide?
The canonical SMILES for N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]propanamide;hydroiodide is CCC(C)NC(=O)CCN/C(=N\C)NC(C)C(C)C.I.
What is the InChIKey of N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]propanamide;hydroiodide?
The InChIKey is SNFPWPLALYPXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O.HI/c1-7-11(4)17-13(19)8-9-16-14(15-6)18-12(5)10(2)3;/h10-12H,7-9H2,1-6H3,(H,17,19)(H2,15,16,18);1H.
What are the key properties of N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]propanamide;hydroiodide?
N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]propanamide;hydroiodide has a molecular weight of 398.33 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]propanamide;hydroiodide is sourced from PubChem (CID 111002734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).