N-(4-propylphenyl)tricyclo[5.2.1.02,6]decan-8-amine

C19H27N — CID 43503217

IUPACN-(4-propylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCCCc1ccc(NC2CC3CC2C2CCCC32)cc1
InChIInChI=1S/C19H27N/c1-2-4-13-7-9-15(10-8-13)20-19-12-14-11-18(19)17-6-3-5-16(14)17/h7-10,14,16-20H,2-6,11-12H2,1H3
InChIKeyRNRZPOFGGYOODG-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.88
Rot. Bonds4

About N-(4-propylphenyl)tricyclo[5.2.1.02,6]decan-8-amine

N-(4-propylphenyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 43503217) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is N-(4-propylphenyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-(4-propylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID43503217
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC NameN-(4-propylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCCCc1ccc(NC2CC3CC2C2CCCC32)cc1
InChIInChI=1S/C19H27N/c1-2-4-13-7-9-15(10-8-13)20-19-12-14-11-18(19)17-6-3-5-16(14)17/h7-10,14,16-20H,2-6,11-12H2,1H3
InChIKeyRNRZPOFGGYOODG-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2R)-2-(4-propylanilino)cyclopentan-1-ol
CID 102733092
trans-(1S,2S)-2-(4-propylanilino)cyclopentan-1-ol
CID 102733091
N-(3-fluoro-4-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43503194
N-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43769074
2-chloro-1-N,1-N-dimethyl-4-N-(8-tricyclo[5.2.1.02,6]decanyl)benzene-1,4-diamine
CID 63451178
N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43503174
3-N,3-N-dimethyl-1-N-(8-tricyclo[5.2.1.02,6]decanyl)benzene-1,3-diamine
CID 115376237
2-fluoro-5-(8-tricyclo[5.2.1.02,6]decanylamino)benzonitrile
CID 63477105
N-[2-[(dimethylamino)methyl]phenyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43750113
N-(4-bromo-3-nitrophenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 79760146
2-N,2-N-dimethyl-1-N-(8-tricyclo[5.2.1.02,6]decanyl)benzene-1,2-diamine
CID 43726475
3-(3,4-dimethoxyphenyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
CID 43063113

Frequently Asked Questions

What is the IUPAC name of N-(4-propylphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-(4-propylphenyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 43503217) is N-(4-propylphenyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-(4-propylphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-(4-propylphenyl)tricyclo[5.2.1.02,6]decan-8-amine is CCCc1ccc(NC2CC3CC2C2CCCC32)cc1.
What is the InChIKey of N-(4-propylphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is RNRZPOFGGYOODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-2-4-13-7-9-15(10-8-13)20-19-12-14-11-18(19)17-6-3-5-16(14)17/h7-10,14,16-20H,2-6,11-12H2,1H3.
What are the key properties of N-(4-propylphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
N-(4-propylphenyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 269.43 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propylphenyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 43503217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).