N-[[1-(hydroxymethyl)cyclohexyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide

C15H26N2O2 — CID 112701950

IUPACN-[[1-(hydroxymethyl)cyclohexyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCC1(CO)CCCCC1)C1CC2CCC1N2
InChIInChI=1S/C15H26N2O2/c18-10-15(6-2-1-3-7-15)9-16-14(19)12-8-11-4-5-13(12)17-11/h11-13,17-18H,1-10H2,(H,16,19)
InChIKeyYHUUAPOMRJAHSU-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.19
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclohexyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 112701950) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID112701950
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCC1(CO)CCCCC1)C1CC2CCC1N2
InChIInChI=1S/C15H26N2O2/c18-10-15(6-2-1-3-7-15)9-16-14(19)12-8-11-4-5-13(12)17-11/h11-13,17-18H,1-10H2,(H,16,19)
InChIKeyYHUUAPOMRJAHSU-UHFFFAOYSA-N
XLogP1.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-Azabicyclo[2.2.1]heptan-2-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 65505133
N-(3-hydroxypropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 65505514
N-(3-hydroxycyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 65505524
2-[1-[(7-Azabicyclo[2.2.1]heptane-2-carbonylamino)methyl]cyclohexyl]acetic acid
CID 65505783
N-(2-hydroxycyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 65505791
N-(3-hydroxypropyl)-N-propan-2-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 65505960
N-(1-hydroxy-4-methylpentan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 65505970
7-Azabicyclo[2.2.1]heptan-2-yl-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 65506381
7-(7-Azabicyclo[2.2.1]heptane-2-carbonylamino)heptanoic acid
CID 65506552
N-[1-(hydroxymethyl)cyclohexyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 65506775
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 65506776
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 65506967

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 112701950) is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide is O=C(NCC1(CO)CCCCC1)C1CC2CCC1N2.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is YHUUAPOMRJAHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c18-10-15(6-2-1-3-7-15)9-16-14(19)12-8-11-4-5-13(12)17-11/h11-13,17-18H,1-10H2,(H,16,19).
What are the key properties of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 112701950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).