5-[cyclopentyl(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide

C14H29N3O — CID 65258525

IUPAC5-[cyclopentyl(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(CCO)C1CCCC1
InChIInChI=1S/C14H29N3O/c1-14(2,13(15)16)8-5-9-17(10-11-18)12-6-3-4-7-12/h12,18H,3-11H2,1-2H3,(H3,15,16)
InChIKeyZPWAATFFVOTXPH-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.97
Rot. Bonds8

About 5-[cyclopentyl(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide

5-[cyclopentyl(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide (PubChem CID 65258525) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 5-[cyclopentyl(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[cyclopentyl(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide
PubChem CID65258525
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name5-[cyclopentyl(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(CCO)C1CCCC1
InChIInChI=1S/C14H29N3O/c1-14(2,13(15)16)8-5-9-17(10-11-18)12-6-3-4-7-12/h12,18H,3-11H2,1-2H3,(H3,15,16)
InChIKeyZPWAATFFVOTXPH-UHFFFAOYSA-N
XLogP1.97
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.97
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-[cyclopentyl(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[cyclopentyl(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide (CID 65258525) is 5-[cyclopentyl(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[cyclopentyl(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[cyclopentyl(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCN(CCO)C1CCCC1.
What is the InChIKey of 5-[cyclopentyl(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide?
The InChIKey is ZPWAATFFVOTXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-14(2,13(15)16)8-5-9-17(10-11-18)12-6-3-4-7-12/h12,18H,3-11H2,1-2H3,(H3,15,16).
What are the key properties of 5-[cyclopentyl(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide?
5-[cyclopentyl(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide has a molecular weight of 255.41 g/mol, XLogP of 1.97, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopentyl(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 65258525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).