3-amino-N-[2-(2-hydroxyethyl)pentyl]bicyclo[2.2.1]heptane-2-carboxamide

C15H28N2O2 — CID 106116632

IUPAC3-amino-N-[2-(2-hydroxyethyl)pentyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCCC(CCO)CNC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C15H28N2O2/c1-2-3-10(6-7-18)9-17-15(19)13-11-4-5-12(8-11)14(13)16/h10-14,18H,2-9,16H2,1H3,(H,17,19)
InChIKeyJYMBJQSTTKKVFD-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.27
Rot. Bonds7

About 3-amino-N-[2-(2-hydroxyethyl)pentyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[2-(2-hydroxyethyl)pentyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 106116632) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-amino-N-[2-(2-hydroxyethyl)pentyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-hydroxyethyl)pentyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID106116632
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-amino-N-[2-(2-hydroxyethyl)pentyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCCC(CCO)CNC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C15H28N2O2/c1-2-3-10(6-7-18)9-17-15(19)13-11-4-5-12(8-11)14(13)16/h10-14,18H,2-9,16H2,1H3,(H,17,19)
InChIKeyJYMBJQSTTKKVFD-UHFFFAOYSA-N
XLogP1.27
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-cyclopropylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 113266414
(2S)-N-[2-(2-hydroxyethyl)pentyl]oxolane-2-carboxamide
CID 103873564
N-[2-(2-hydroxyethyl)pentyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114145522
2-(4-aminopiperidin-1-yl)-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 106116669
3-amino-N-[(1-propylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119822130
3-amino-N-(3-propoxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 82942435
3-amino-N-(2-hydroxy-2-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 106292057
3-amino-N-(2-cyclohexyl-2-hydroxyethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119731702
3-[2-(2-hydroxyethyl)pentylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114145229
cis-(1R,2S)-4-ethyl-2-[2-(2-hydroxyethyl)pentylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106114027
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119728915
N-[2-(2-hydroxyethyl)pentyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 106116618

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-hydroxyethyl)pentyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(2-hydroxyethyl)pentyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 106116632) is 3-amino-N-[2-(2-hydroxyethyl)pentyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2-hydroxyethyl)pentyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2-hydroxyethyl)pentyl]bicyclo[2.2.1]heptane-2-carboxamide is CCCC(CCO)CNC(=O)C1C2CCC(C2)C1N.
What is the InChIKey of 3-amino-N-[2-(2-hydroxyethyl)pentyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is JYMBJQSTTKKVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-3-10(6-7-18)9-17-15(19)13-11-4-5-12(8-11)14(13)16/h10-14,18H,2-9,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-N-[2-(2-hydroxyethyl)pentyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[2-(2-hydroxyethyl)pentyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-hydroxyethyl)pentyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 106116632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).