2-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylcyclopentane-1-carboxamide

C13H26N2O2 — CID 82765944

IUPAC2-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylcyclopentane-1-carboxamide
SMILESCC(C)N(CCCO)C(=O)C1(C)CCCC1N
InChIInChI=1S/C13H26N2O2/c1-10(2)15(8-5-9-16)12(17)13(3)7-4-6-11(13)14/h10-11,16H,4-9,14H2,1-3H3
InChIKeyMLZLZHHFPRKNJH-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.12
Rot. Bonds5

About 2-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylcyclopentane-1-carboxamide

2-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylcyclopentane-1-carboxamide (PubChem CID 82765944) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylcyclopentane-1-carboxamide
PubChem CID82765944
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylcyclopentane-1-carboxamide
SMILESCC(C)N(CCCO)C(=O)C1(C)CCCC1N
InChIInChI=1S/C13H26N2O2/c1-10(2)15(8-5-9-16)12(17)13(3)7-4-6-11(13)14/h10-11,16H,4-9,14H2,1-3H3
InChIKeyMLZLZHHFPRKNJH-UHFFFAOYSA-N
XLogP1.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N,1-dimethyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 82764782
2-amino-1-methyl-N,N-dipentylcyclopentane-1-carboxamide
CID 82763489
4-amino-N-(2-hydroxyethyl)-3-methyl-N-propan-2-yloxolane-3-carboxamide
CID 66248252
2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid
CID 82768526
2-amino-N-[2-(diethylamino)ethyl]-1-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide
CID 82763619
1-(2-amino-1-methylcyclopentyl)-3-methylbutan-1-one
CID 116607171
2-amino-N-cyclohexyl-N-ethyl-1-methylcyclopentane-1-carboxamide
CID 82765419
N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 65023347
3-cyclohexyl-1-(3-hydroxypropyl)-1-propan-2-ylurea
CID 54916723
ethyl 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetate
CID 82764089
(1R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 129318014
trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 55284582

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylcyclopentane-1-carboxamide (CID 82765944) is 2-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylcyclopentane-1-carboxamide is CC(C)N(CCCO)C(=O)C1(C)CCCC1N.
What is the InChIKey of 2-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylcyclopentane-1-carboxamide?
The InChIKey is MLZLZHHFPRKNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)15(8-5-9-16)12(17)13(3)7-4-6-11(13)14/h10-11,16H,4-9,14H2,1-3H3.
What are the key properties of 2-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylcyclopentane-1-carboxamide?
2-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylcyclopentane-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 82765944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).