N-[2-(aminomethyl)cyclopentyl]adamantane-2-carboxamide

C17H28N2O — CID 81099558

IUPACN-[2-(aminomethyl)cyclopentyl]adamantane-2-carboxamide
SMILESNCC1CCCC1NC(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H28N2O/c18-9-12-2-1-3-15(12)19-17(20)16-13-5-10-4-11(7-13)8-14(16)6-10/h10-16H,1-9,18H2,(H,19,20)
InChIKeyGFRMTCNIRSJCAL-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.30
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]adamantane-2-carboxamide

N-[2-(aminomethyl)cyclopentyl]adamantane-2-carboxamide (PubChem CID 81099558) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]adamantane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]adamantane-2-carboxamide
PubChem CID81099558
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[2-(aminomethyl)cyclopentyl]adamantane-2-carboxamide
SMILESNCC1CCCC1NC(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H28N2O/c18-9-12-2-1-3-15(12)19-17(20)16-13-5-10-4-11(7-13)8-14(16)6-10/h10-16H,1-9,18H2,(H,19,20)
InChIKeyGFRMTCNIRSJCAL-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]adamantane-2-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]adamantane-2-carboxamide (CID 81099558) is N-[2-(aminomethyl)cyclopentyl]adamantane-2-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]adamantane-2-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]adamantane-2-carboxamide is NCC1CCCC1NC(=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]adamantane-2-carboxamide?
The InChIKey is GFRMTCNIRSJCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c18-9-12-2-1-3-15(12)19-17(20)16-13-5-10-4-11(7-13)8-14(16)6-10/h10-16H,1-9,18H2,(H,19,20).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]adamantane-2-carboxamide?
N-[2-(aminomethyl)cyclopentyl]adamantane-2-carboxamide has a molecular weight of 276.42 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]adamantane-2-carboxamide is sourced from PubChem (CID 81099558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).