2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide

C15H33N3 — CID 65258572

IUPAC2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(CCCCC)C(C)C
InChIInChI=1S/C15H33N3/c1-6-7-8-11-18(13(2)3)12-9-10-15(4,5)14(16)17/h13H,6-12H2,1-5H3,(H3,16,17)
InChIKeyRVKWREFNKAYNMO-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.63
Rot. Bonds10

About 2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide

2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide (PubChem CID 65258572) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide
PubChem CID65258572
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(CCCCC)C(C)C
InChIInChI=1S/C15H33N3/c1-6-7-8-11-18(13(2)3)12-9-10-15(4,5)14(16)17/h13H,6-12H2,1-5H3,(H3,16,17)
InChIKeyRVKWREFNKAYNMO-UHFFFAOYSA-N
XLogP3.63
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.63
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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide?
The IUPAC name of 2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide (CID 65258572) is 2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide.
What is the SMILES notation for 2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide?
The canonical SMILES for 2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide is [H]/N=C(\N)C(C)(C)CCCN(CCCCC)C(C)C.
What is the InChIKey of 2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide?
The InChIKey is RVKWREFNKAYNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-6-7-8-11-18(13(2)3)12-9-10-15(4,5)14(16)17/h13H,6-12H2,1-5H3,(H3,16,17).
What are the key properties of 2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide?
2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide has a molecular weight of 255.45 g/mol, XLogP of 3.63, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide is sourced from PubChem (CID 65258572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).