N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]propanamide

C14H30N4O — CID 110979277

IUPACN-butan-2-yl-3-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]propanamide
SMILESCCC(C)NC(=O)CCN/C(=N/C)NCCC(C)C
InChIInChI=1S/C14H30N4O/c1-6-12(4)18-13(19)8-10-17-14(15-5)16-9-7-11(2)3/h11-12H,6-10H2,1-5H3,(H,18,19)(H2,15,16,17)
InChIKeyMNUAXVFUSJPWEV-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.50
Rot. Bonds8

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

N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]propanamide (PubChem CID 110979277) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]propanamide
PubChem CID110979277
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC NameN-butan-2-yl-3-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]propanamide
SMILESCCC(C)NC(=O)CCN/C(=N/C)NCCC(C)C
InChIInChI=1S/C14H30N4O/c1-6-12(4)18-13(19)8-10-17-14(15-5)16-9-7-11(2)3/h11-12H,6-10H2,1-5H3,(H,18,19)(H2,15,16,17)
InChIKeyMNUAXVFUSJPWEV-UHFFFAOYSA-N
XLogP1.50
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.50
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'}

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Related Compounds

N-butan-2-yl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide
CID 111228643
N-butan-2-yl-3-[[N-(2-methoxyethyl)-N'-methylcarbamimidoyl]amino]propanamide
CID 110942520
N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111002734
N-butan-2-yl-3-[[N'-methyl-N-(2-piperidin-1-ylethyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111415168
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-(3-methylbutyl)propanamide
CID 61022907
N-butan-2-yl-3-[[N-(2,2-diphenylethyl)-N'-methylcarbamimidoyl]amino]propanamide
CID 111356850
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide
CID 79192929
N-butan-2-yl-3-[[N-ethyl-N'-(2-methylpropyl)carbamimidoyl]amino]propanamide
CID 111179527
methyl 3-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]propanoate
CID 110978019
N-butan-2-yl-3-[[N-[(5-ethylthiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111956647
N-butan-2-yl-3-[[N-[3-(cyclopropylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111390765
2-methyl-1,3-bis(3-methylbutyl)guanidine;hydroiodide
CID 110978186

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]propanamide (CID 110979277) is N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]propanamide is CCC(C)NC(=O)CCN/C(=N/C)NCCC(C)C.
What is the InChIKey of N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]propanamide?
The InChIKey is MNUAXVFUSJPWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-6-12(4)18-13(19)8-10-17-14(15-5)16-9-7-11(2)3/h11-12H,6-10H2,1-5H3,(H,18,19)(H2,15,16,17).
What are the key properties of N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]propanamide?
N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]propanamide has a molecular weight of 270.42 g/mol, XLogP of 1.50, 8 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-methylbutyl)carbamimidoyl]amino]propanamide is sourced from PubChem (CID 110979277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).