N-(3-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine

C17H29NO — CID 103904074

IUPACN-(3-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCOC1CCCC(NC2CC3CC2C2CCCC32)C1
InChIInChI=1S/C17H29NO/c1-19-13-5-2-4-12(10-13)18-17-9-11-8-16(17)15-7-3-6-14(11)15/h11-18H,2-10H2,1H3
InChIKeyYPXGMGKVFQFUHT-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.36
Rot. Bonds3

About N-(3-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine

N-(3-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 103904074) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-(3-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-(3-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID103904074
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-(3-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCOC1CCCC(NC2CC3CC2C2CCCC32)C1
InChIInChI=1S/C17H29NO/c1-19-13-5-2-4-12(10-13)18-17-9-11-8-16(17)15-7-3-6-14(11)15/h11-18H,2-10H2,1H3
InChIKeyYPXGMGKVFQFUHT-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidin-4-amine
CID 43392317
1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-3-amine
CID 63924783
N-(2-methylcyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43392260
N-(2-ethylsulfanylcyclopentyl)-3-methoxycyclohexan-1-amine
CID 114121380
2-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)oxolan-3-amine
CID 115337056
N-(3-methoxycyclopentyl)-2,3-dimethylcyclohexan-1-amine
CID 103082803
(1R,2S,6S,7S,8R)-N-(3-methoxypropyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 124708804
1-methoxy-3-(3-methoxycyclohexyl)cyclohexane
CID 140718848
(1R,2S,6S,7S,8S)-N-(cyclopropylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 98119188
(1R,2S,6R,7S,8R)-N-propyltricyclo[5.2.1.02,6]decan-8-amine
CID 124708771
1,3-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidin-4-amine
CID 115714383
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43223185

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-(3-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 103904074) is N-(3-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-(3-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-(3-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine is COC1CCCC(NC2CC3CC2C2CCCC32)C1.
What is the InChIKey of N-(3-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is YPXGMGKVFQFUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-19-13-5-2-4-12(10-13)18-17-9-11-8-16(17)15-7-3-6-14(11)15/h11-18H,2-10H2,1H3.
What are the key properties of N-(3-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine?
N-(3-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 263.42 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 103904074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).