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

C12H27N3 — CID 63176647

IUPACN'-[4-[methyl(propan-2-yl)amino]butyl]butanimidamide
SMILESCCC/C(N)=N\CCCCN(C)C(C)C
InChIInChI=1S/C12H27N3/c1-5-8-12(13)14-9-6-7-10-15(4)11(2)3/h11H,5-10H2,1-4H3,(H2,13,14)
InChIKeyKSRCVFUMHYJKPM-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.26
Rot. Bonds8

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

N'-[4-[methyl(propan-2-yl)amino]butyl]butanimidamide (PubChem CID 63176647) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N'-[4-[methyl(propan-2-yl)amino]butyl]butanimidamide.

Molecular Properties

Compound NameN'-[4-[methyl(propan-2-yl)amino]butyl]butanimidamide
PubChem CID63176647
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN'-[4-[methyl(propan-2-yl)amino]butyl]butanimidamide
SMILESCCC/C(N)=N\CCCCN(C)C(C)C
InChIInChI=1S/C12H27N3/c1-5-8-12(13)14-9-6-7-10-15(4)11(2)3/h11H,5-10H2,1-4H3,(H2,13,14)
InChIKeyKSRCVFUMHYJKPM-UHFFFAOYSA-N
XLogP2.26
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.26
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]propanimidamide
CID 63176646
1-(diaminomethylidene)-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 83037161
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-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410
chloro 2-amino-5-(1-aminobutylideneamino)pentanoate
CID 53394744
1-ethyl-3-(2-methoxyethyl)-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 110942648
N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 16748474
N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
CID 106034016
formic acid;N-methyl-N-propan-2-ylhexan-1-amine
CID 169177535
1-amino-2-[4-[methyl(propan-2-yl)amino]butyl]-3-phenylguanidine
CID 116514213

Frequently Asked Questions

What is the IUPAC name of N'-[4-[methyl(propan-2-yl)amino]butyl]butanimidamide?
The IUPAC name of N'-[4-[methyl(propan-2-yl)amino]butyl]butanimidamide (CID 63176647) is N'-[4-[methyl(propan-2-yl)amino]butyl]butanimidamide.
What is the SMILES notation for N'-[4-[methyl(propan-2-yl)amino]butyl]butanimidamide?
The canonical SMILES for N'-[4-[methyl(propan-2-yl)amino]butyl]butanimidamide is CCC/C(N)=N\CCCCN(C)C(C)C.
What is the InChIKey of N'-[4-[methyl(propan-2-yl)amino]butyl]butanimidamide?
The InChIKey is KSRCVFUMHYJKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-5-8-12(13)14-9-6-7-10-15(4)11(2)3/h11H,5-10H2,1-4H3,(H2,13,14).
What are the key properties of N'-[4-[methyl(propan-2-yl)amino]butyl]butanimidamide?
N'-[4-[methyl(propan-2-yl)amino]butyl]butanimidamide has a molecular weight of 213.37 g/mol, XLogP of 2.26, 8 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]butanimidamide is sourced from PubChem (CID 63176647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).