5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide

C14H31N3O — CID 65258474

IUPAC5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(CCO)C(CC)CC
InChIInChI=1S/C14H31N3O/c1-5-12(6-2)17(10-11-18)9-7-8-14(3,4)13(15)16/h12,18H,5-11H2,1-4H3,(H3,15,16)
InChIKeyYBDIHEGRSCUHNK-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.21
Rot. Bonds10

About 5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide

5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide (PubChem CID 65258474) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide
PubChem CID65258474
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(CCO)C(CC)CC
InChIInChI=1S/C14H31N3O/c1-5-12(6-2)17(10-11-18)9-7-8-14(3,4)13(15)16/h12,18H,5-11H2,1-4H3,(H3,15,16)
InChIKeyYBDIHEGRSCUHNK-UHFFFAOYSA-N
XLogP2.21
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide (CID 65258474) is 5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCN(CCO)C(CC)CC.
What is the InChIKey of 5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide?
The InChIKey is YBDIHEGRSCUHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-5-12(6-2)17(10-11-18)9-7-8-14(3,4)13(15)16/h12,18H,5-11H2,1-4H3,(H3,15,16).
What are the key properties of 5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide?
5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide has a molecular weight of 257.42 g/mol, XLogP of 2.21, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 65258474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).