N-(pyrrolidin-2-ylmethyl)adamantane-1-carboxamide

C16H26N2O — CID 62541274

IUPACN-(pyrrolidin-2-ylmethyl)adamantane-1-carboxamide
SMILESO=C(NCC1CCCN1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26N2O/c19-15(18-10-14-2-1-3-17-14)16-7-11-4-12(8-16)6-13(5-11)9-16/h11-14,17H,1-10H2,(H,18,19)
InChIKeyJIECMOIXHHYOTA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.07
Rot. Bonds3

About N-(pyrrolidin-2-ylmethyl)adamantane-1-carboxamide

N-(pyrrolidin-2-ylmethyl)adamantane-1-carboxamide (PubChem CID 62541274) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)adamantane-1-carboxamide
PubChem CID62541274
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(pyrrolidin-2-ylmethyl)adamantane-1-carboxamide
SMILESO=C(NCC1CCCN1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26N2O/c19-15(18-10-14-2-1-3-17-14)16-7-11-4-12(8-16)6-13(5-11)9-16/h11-14,17H,1-10H2,(H,18,19)
InChIKeyJIECMOIXHHYOTA-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(adamantane-1-carbonyl)-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 119513584
N-(piperidin-3-ylmethyl)adamantane-1-carboxamide;hydrochloride
CID 119462908
1-amino-N-(piperidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 130961670
3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]adamantane-1-carboxamide
CID 104972040
3-methyl-N-(2-pyrrolidin-2-ylethyl)adamantane-1-carboxamide
CID 114793932
1-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide
CID 119513564
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
N-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide
CID 7079712
1-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide;hydrochloride
CID 119513563
4-methyl-N-(pyrrolidin-2-ylmethyl)oxane-4-carboxamide
CID 70985299
2-(2-bicyclo[2.2.1]heptanyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 55084483
1-methyl-N-(piperidin-2-ylmethyl)cyclohexane-1-carboxamide
CID 106826694

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)adamantane-1-carboxamide?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)adamantane-1-carboxamide (CID 62541274) is N-(pyrrolidin-2-ylmethyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)adamantane-1-carboxamide?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)adamantane-1-carboxamide is O=C(NCC1CCCN1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)adamantane-1-carboxamide?
The InChIKey is JIECMOIXHHYOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c19-15(18-10-14-2-1-3-17-14)16-7-11-4-12(8-16)6-13(5-11)9-16/h11-14,17H,1-10H2,(H,18,19).
What are the key properties of N-(pyrrolidin-2-ylmethyl)adamantane-1-carboxamide?
N-(pyrrolidin-2-ylmethyl)adamantane-1-carboxamide has a molecular weight of 262.40 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)adamantane-1-carboxamide is sourced from PubChem (CID 62541274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).