(1S,2R,5S,6S)-N-pentyl-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide

C14H24N2O — CID 124728717

IUPAC(1S,2R,5S,6S)-N-pentyl-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide
SMILESCCCCCNC(=O)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]21
InChIInChI=1S/C14H24N2O/c1-2-3-4-7-15-14(17)16-9-12-10-5-6-11(8-10)13(12)16/h10-13H,2-9H2,1H3,(H,15,17)/t10-,11-,12+,13+/m0/s1
InChIKeyFDMWFLRDHPDGNF-WUHRBBMRSA-N
MW236.36 g/mol
LogP2.62
Rot. Bonds4

About (1S,2R,5S,6S)-N-pentyl-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide

(1S,2R,5S,6S)-N-pentyl-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide (PubChem CID 124728717) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (1S,2R,5S,6S)-N-pentyl-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide.

Molecular Properties

Compound Name(1S,2R,5S,6S)-N-pentyl-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide
PubChem CID124728717
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(1S,2R,5S,6S)-N-pentyl-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide
SMILESCCCCCNC(=O)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]21
InChIInChI=1S/C14H24N2O/c1-2-3-4-7-15-14(17)16-9-12-10-5-6-11(8-10)13(12)16/h10-13H,2-9H2,1H3,(H,15,17)/t10-,11-,12+,13+/m0/s1
InChIKeyFDMWFLRDHPDGNF-WUHRBBMRSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S,2S,5S,6S)-N-(2-morpholin-4-ylethyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide
CID 124866301
N-butyl-2-methylaziridine-1-carboxamide
CID 91621648
4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid
CID 114425136
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
(2S)-1-N,4-N-dihexyl-2-methylpiperazine-1,4-dicarboxamide
CID 27255411
(2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 78993815
4-[[(1S,2R,3R,6S,7S)-2-methoxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl]amino]butanoic acid
CID 129468611
(2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 27339570
N-decyl-4-methylpiperidine-1-carboxamide
CID 116656754
N-hexyl-4-methylpiperidine-1-carboxamide
CID 71899822
4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122021638
1-(hexylcarbamoyl)-3-methylpiperidine-2-carboxylic acid
CID 107071691

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S,6S)-N-pentyl-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide?
The IUPAC name of (1S,2R,5S,6S)-N-pentyl-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide (CID 124728717) is (1S,2R,5S,6S)-N-pentyl-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide.
What is the SMILES notation for (1S,2R,5S,6S)-N-pentyl-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide?
The canonical SMILES for (1S,2R,5S,6S)-N-pentyl-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide is CCCCCNC(=O)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]21.
What is the InChIKey of (1S,2R,5S,6S)-N-pentyl-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide?
The InChIKey is FDMWFLRDHPDGNF-WUHRBBMRSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-3-4-7-15-14(17)16-9-12-10-5-6-11(8-10)13(12)16/h10-13H,2-9H2,1H3,(H,15,17)/t10-,11-,12+,13+/m0/s1.
What are the key properties of (1S,2R,5S,6S)-N-pentyl-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide?
(1S,2R,5S,6S)-N-pentyl-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide has a molecular weight of 236.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S,6S)-N-pentyl-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide is sourced from PubChem (CID 124728717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).