4-[methyl(pentyl)amino]butanimidamide

C10H23N3 — CID 43294979

IUPAC4-[methyl(pentyl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCN(C)CCCCC
InChIInChI=1S/C10H23N3/c1-3-4-5-8-13(2)9-6-7-10(11)12/h3-9H2,1-2H3,(H3,11,12)
InChIKeyALCAYUONKHRWNC-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.82
Rot. Bonds8

About 4-[methyl(pentyl)amino]butanimidamide

4-[methyl(pentyl)amino]butanimidamide (PubChem CID 43294979) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-[methyl(pentyl)amino]butanimidamide.

Molecular Properties

Compound Name4-[methyl(pentyl)amino]butanimidamide
PubChem CID43294979
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name4-[methyl(pentyl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCN(C)CCCCC
InChIInChI=1S/C10H23N3/c1-3-4-5-8-13(2)9-6-7-10(11)12/h3-9H2,1-2H3,(H3,11,12)
InChIKeyALCAYUONKHRWNC-UHFFFAOYSA-N
XLogP1.82
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
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

3-[butyl(methyl)amino]propanimidamide
CID 24696065
5-[methyl(2-methylsulfanylethyl)amino]pentanimidamide
CID 112660222
formic acid;octadecanimidamide
CID 160757976
3-[dodecyl(methyl)amino]propanethioamide
CID 63515133
4-hexoxybutanimidamide
CID 29003057
4-[(4-fluorophenyl)methyl-methylamino]butanimidamide
CID 61413635
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N-butyl-N-methylpentan-1-amine
CID 54060013
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pentyl)amino]butanimidamide?
The IUPAC name of 4-[methyl(pentyl)amino]butanimidamide (CID 43294979) is 4-[methyl(pentyl)amino]butanimidamide.
What is the SMILES notation for 4-[methyl(pentyl)amino]butanimidamide?
The canonical SMILES for 4-[methyl(pentyl)amino]butanimidamide is [H]/N=C(\N)CCCN(C)CCCCC.
What is the InChIKey of 4-[methyl(pentyl)amino]butanimidamide?
The InChIKey is ALCAYUONKHRWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-3-4-5-8-13(2)9-6-7-10(11)12/h3-9H2,1-2H3,(H3,11,12).
What are the key properties of 4-[methyl(pentyl)amino]butanimidamide?
4-[methyl(pentyl)amino]butanimidamide has a molecular weight of 185.31 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pentyl)amino]butanimidamide is sourced from PubChem (CID 43294979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).