N'-[4-[methyl(propan-2-yl)amino]butyl]propanimidamide

C11H25N3 — CID 63176646

IUPACN'-[4-[methyl(propan-2-yl)amino]butyl]propanimidamide
SMILESCC/C(N)=N\CCCCN(C)C(C)C
InChIInChI=1S/C11H25N3/c1-5-11(12)13-8-6-7-9-14(4)10(2)3/h10H,5-9H2,1-4H3,(H2,12,13)
InChIKeyKSBLXCXNNCIDTG-UHFFFAOYSA-N
MW199.34 g/mol
LogP1.87
Rot. Bonds7

About N'-[4-[methyl(propan-2-yl)amino]butyl]propanimidamide

N'-[4-[methyl(propan-2-yl)amino]butyl]propanimidamide (PubChem CID 63176646) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N'-[4-[methyl(propan-2-yl)amino]butyl]propanimidamide.

Molecular Properties

Compound NameN'-[4-[methyl(propan-2-yl)amino]butyl]propanimidamide
PubChem CID63176646
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN'-[4-[methyl(propan-2-yl)amino]butyl]propanimidamide
SMILESCC/C(N)=N\CCCCN(C)C(C)C
InChIInChI=1S/C11H25N3/c1-5-11(12)13-8-6-7-9-14(4)10(2)3/h10H,5-9H2,1-4H3,(H2,12,13)
InChIKeyKSBLXCXNNCIDTG-UHFFFAOYSA-N
XLogP1.87
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
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'-[4-[methyl(propan-2-yl)amino]butyl]butanimidamide
CID 63176647
1-(diaminomethylidene)-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 83037161
N'-[2-[di(propan-2-yl)amino]ethyl]propanimidamide
CID 63174026
N'-pentylpropanimidamide
CID 62047571
N'-[4-[methyl(propan-2-yl)amino]butyl]azepane-1-carboximidamide;hydroiodide
CID 86779285
1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 176547006
N'-hexylpropanimidamide
CID 62048653
1-ethyl-3-(2-methoxyethyl)-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 110942648
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 16748474
N'-hydroxy-2-[4-[methyl(propan-2-yl)amino]butylamino]butanimidamide
CID 77031129
N'-[2-(dimethylamino)propyl]propanimidamide
CID 45088420

Frequently Asked Questions

What is the IUPAC name of N'-[4-[methyl(propan-2-yl)amino]butyl]propanimidamide?
The IUPAC name of N'-[4-[methyl(propan-2-yl)amino]butyl]propanimidamide (CID 63176646) is N'-[4-[methyl(propan-2-yl)amino]butyl]propanimidamide.
What is the SMILES notation for N'-[4-[methyl(propan-2-yl)amino]butyl]propanimidamide?
The canonical SMILES for N'-[4-[methyl(propan-2-yl)amino]butyl]propanimidamide is CC/C(N)=N\CCCCN(C)C(C)C.
What is the InChIKey of N'-[4-[methyl(propan-2-yl)amino]butyl]propanimidamide?
The InChIKey is KSBLXCXNNCIDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-5-11(12)13-8-6-7-9-14(4)10(2)3/h10H,5-9H2,1-4H3,(H2,12,13).
What are the key properties of N'-[4-[methyl(propan-2-yl)amino]butyl]propanimidamide?
N'-[4-[methyl(propan-2-yl)amino]butyl]propanimidamide has a molecular weight of 199.34 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[methyl(propan-2-yl)amino]butyl]propanimidamide is sourced from PubChem (CID 63176646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).