N-(3-imidazol-1-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine

C16H25N3 — CID 43392168

IUPACN-(3-imidazol-1-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESc1cn(CCCNC2CC3CC2C2CCCC32)cn1
InChIInChI=1S/C16H25N3/c1-3-13-12-9-15(14(13)4-1)16(10-12)18-5-2-7-19-8-6-17-11-19/h6,8,11-16,18H,1-5,7,9-10H2
InChIKeyJUDPQVXHUFZLGO-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.69
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine

N-(3-imidazol-1-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 43392168) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID43392168
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-(3-imidazol-1-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESc1cn(CCCNC2CC3CC2C2CCCC32)cn1
InChIInChI=1S/C16H25N3/c1-3-13-12-9-15(14(13)4-1)16(10-12)18-5-2-7-19-8-6-17-11-19/h6,8,11-16,18H,1-5,7,9-10H2
InChIKeyJUDPQVXHUFZLGO-UHFFFAOYSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046461
cis-(1S,2R)-2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)cyclopentan-1-amine
CID 124681069
cis-(1R,2S)-N-(3-imidazol-1-ylpropyl)-2-pyrazol-1-ylcyclohexan-1-amine
CID 99622517
N-(4-imidazol-1-ylbutyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364522
N-(3-imidazol-1-ylpropyl)-1,3-dimethylpiperidin-4-amine
CID 115704910
N-(3-imidazol-1-ylpropyl)oxan-4-amine
CID 43608608
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 63683145
N-(3-imidazol-1-ylpropyl)-1-[(1S,3R)-3-methylcyclohexyl]piperidin-4-amine
CID 97228938
N-(3-imidazol-1-ylpropyl)-1-[(1R,3R)-3-methylcyclohexyl]piperidin-4-amine
CID 97228940
N-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine
CID 115704905
N-(4-imidazol-1-ylbutyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758617
N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 61494543

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 43392168) is N-(3-imidazol-1-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine is c1cn(CCCNC2CC3CC2C2CCCC32)cn1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is JUDPQVXHUFZLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-3-13-12-9-15(14(13)4-1)16(10-12)18-5-2-7-19-8-6-17-11-19/h6,8,11-16,18H,1-5,7,9-10H2.
What are the key properties of N-(3-imidazol-1-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine?
N-(3-imidazol-1-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 259.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 43392168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).