(1R,2S,6S,7S,8R)-N-(3-methoxypropyl)tricyclo[5.2.1.02,6]decan-8-amine

C14H25NO — CID 124708804

IUPAC(1R,2S,6S,7S,8R)-N-(3-methoxypropyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCOCCCN[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]21
InChIInChI=1S/C14H25NO/c1-16-7-3-6-15-14-9-10-8-13(14)12-5-2-4-11(10)12/h10-15H,2-9H2,1H3/t10-,11+,12+,13+,14-/m1/s1
InChIKeyCKUCEWBIYOCCCE-IKOXMDCHSA-N
MW223.36 g/mol
LogP2.44
Rot. Bonds5

About (1R,2S,6S,7S,8R)-N-(3-methoxypropyl)tricyclo[5.2.1.02,6]decan-8-amine

(1R,2S,6S,7S,8R)-N-(3-methoxypropyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 124708804) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (1R,2S,6S,7S,8R)-N-(3-methoxypropyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound Name(1R,2S,6S,7S,8R)-N-(3-methoxypropyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID124708804
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(1R,2S,6S,7S,8R)-N-(3-methoxypropyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCOCCCN[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]21
InChIInChI=1S/C14H25NO/c1-16-7-3-6-15-14-9-10-8-13(14)12-5-2-4-11(10)12/h10-15H,2-9H2,1H3/t10-,11+,12+,13+,14-/m1/s1
InChIKeyCKUCEWBIYOCCCE-IKOXMDCHSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,6R,7S,8R)-N-propyltricyclo[5.2.1.02,6]decan-8-amine
CID 124708771
N-(4-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 115886378
(1S,2R,6S,7R,8S)-N-[3-[(S)-methylsulfinyl]propyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 98568433
(1S,2R,6S,7R,8S)-N-[3-[(R)-methylsulfinyl]propyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 98568432
(1S,2R,6S,7R,8R)-N-[3-[(S)-methylsulfinyl]propyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 98568431
(1R,2S,6S,7S,8S)-N-(cyclopropylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 98119188
(1S,2S,6R,7R,8S)-N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 99851077
trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine
CID 95377511
N-(3-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 115886299
(1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 6594927
2-(chloromethyl)-N-(3-methoxypropyl)cyclopentan-1-amine
CID 106364907
N-(3-imidazol-1-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43392168

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6S,7S,8R)-N-(3-methoxypropyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of (1R,2S,6S,7S,8R)-N-(3-methoxypropyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 124708804) is (1R,2S,6S,7S,8R)-N-(3-methoxypropyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for (1R,2S,6S,7S,8R)-N-(3-methoxypropyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for (1R,2S,6S,7S,8R)-N-(3-methoxypropyl)tricyclo[5.2.1.02,6]decan-8-amine is COCCCN[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]21.
What is the InChIKey of (1R,2S,6S,7S,8R)-N-(3-methoxypropyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is CKUCEWBIYOCCCE-IKOXMDCHSA-N. The full InChI is InChI=1S/C14H25NO/c1-16-7-3-6-15-14-9-10-8-13(14)12-5-2-4-11(10)12/h10-15H,2-9H2,1H3/t10-,11+,12+,13+,14-/m1/s1.
What are the key properties of (1R,2S,6S,7S,8R)-N-(3-methoxypropyl)tricyclo[5.2.1.02,6]decan-8-amine?
(1R,2S,6S,7S,8R)-N-(3-methoxypropyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 223.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6S,7S,8R)-N-(3-methoxypropyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 124708804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).