N-[1-(1-adamantyl)-2-pyrazol-1-ylethyl]propan-1-amine

C18H29N3 — CID 63469177

IUPACN-[1-(1-adamantyl)-2-pyrazol-1-ylethyl]propan-1-amine
SMILESCCCNC(Cn1cccn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H29N3/c1-2-4-19-17(13-21-6-3-5-20-21)18-10-14-7-15(11-18)9-16(8-14)12-18/h3,5-6,14-17,19H,2,4,7-13H2,1H3
InChIKeyPOYLKOJUIFHJHK-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.47
Rot. Bonds6

About N-[1-(1-adamantyl)-2-pyrazol-1-ylethyl]propan-1-amine

N-[1-(1-adamantyl)-2-pyrazol-1-ylethyl]propan-1-amine (PubChem CID 63469177) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[1-(1-adamantyl)-2-pyrazol-1-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-adamantyl)-2-pyrazol-1-ylethyl]propan-1-amine
PubChem CID63469177
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[1-(1-adamantyl)-2-pyrazol-1-ylethyl]propan-1-amine
SMILESCCCNC(Cn1cccn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H29N3/c1-2-4-19-17(13-21-6-3-5-20-21)18-10-14-7-15(11-18)9-16(8-14)12-18/h3,5-6,14-17,19H,2,4,7-13H2,1H3
InChIKeyPOYLKOJUIFHJHK-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)-2-pyrazol-1-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(1-adamantyl)-2-pyrazol-1-ylethyl]propan-1-amine (CID 63469177) is N-[1-(1-adamantyl)-2-pyrazol-1-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-adamantyl)-2-pyrazol-1-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-adamantyl)-2-pyrazol-1-ylethyl]propan-1-amine is CCCNC(Cn1cccn1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)-2-pyrazol-1-ylethyl]propan-1-amine?
The InChIKey is POYLKOJUIFHJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-2-4-19-17(13-21-6-3-5-20-21)18-10-14-7-15(11-18)9-16(8-14)12-18/h3,5-6,14-17,19H,2,4,7-13H2,1H3.
What are the key properties of N-[1-(1-adamantyl)-2-pyrazol-1-ylethyl]propan-1-amine?
N-[1-(1-adamantyl)-2-pyrazol-1-ylethyl]propan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)-2-pyrazol-1-ylethyl]propan-1-amine is sourced from PubChem (CID 63469177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).