N-[(1-ethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine

C17H26N2 — CID 66413966

IUPACN-[(1-ethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCCn1ccc(CNC2CC3CC2C2CCCC32)c1
InChIInChI=1S/C17H26N2/c1-2-19-7-6-12(11-19)10-18-17-9-13-8-16(17)15-5-3-4-14(13)15/h6-7,11,13-18H,2-5,8-10H2,1H3
InChIKeyQSVVWEIUVLSDAZ-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.42
Rot. Bonds4

About N-[(1-ethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine

N-[(1-ethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 66413966) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID66413966
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[(1-ethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCCn1ccc(CNC2CC3CC2C2CCCC32)c1
InChIInChI=1S/C17H26N2/c1-2-19-7-6-12(11-19)10-18-17-9-13-8-16(17)15-5-3-4-14(13)15/h6-7,11,13-18H,2-5,8-10H2,1H3
InChIKeyQSVVWEIUVLSDAZ-UHFFFAOYSA-N
XLogP3.42
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43392190
N-[(1-ethylpyrrol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80714455
N-[(1-ethylpyrrol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 66414811
N-[(1-ethylpyrrol-3-yl)methyl]-2-propylcyclopropan-1-amine
CID 103270528
(1R,2R,6S,7S,8R)-N-[(3-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 18557367
(1S,2R,6R,7S,8R)-N-[(3-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 15523767
4-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]benzoic acid
CID 65347724
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 79612022
N-[(2-methylphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43223708
[3-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenyl]methanol;hydrochloride
CID 139951785
N-[(1-methyltriazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 62756684
(1R,2S,6R,7S,8R)-N-propyltricyclo[5.2.1.02,6]decan-8-amine
CID 124708771

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 66413966) is N-[(1-ethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-[(1-ethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-[(1-ethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is CCn1ccc(CNC2CC3CC2C2CCCC32)c1.
What is the InChIKey of N-[(1-ethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is QSVVWEIUVLSDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-19-7-6-12(11-19)10-18-17-9-13-8-16(17)15-5-3-4-14(13)15/h6-7,11,13-18H,2-5,8-10H2,1H3.
What are the key properties of N-[(1-ethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
N-[(1-ethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 258.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 66413966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).