N-[(2-pyrazin-2-ylcycloheptyl)methyl]propan-2-amine

C15H25N3 — CID 81025607

IUPACN-[(2-pyrazin-2-ylcycloheptyl)methyl]propan-2-amine
SMILESCC(C)NCC1CCCCCC1c1cnccn1
InChIInChI=1S/C15H25N3/c1-12(2)18-10-13-6-4-3-5-7-14(13)15-11-16-8-9-17-15/h8-9,11-14,18H,3-7,10H2,1-2H3
InChIKeyWTTXEMNGOFQIMQ-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.14
Rot. Bonds4

About N-[(2-pyrazin-2-ylcycloheptyl)methyl]propan-2-amine

N-[(2-pyrazin-2-ylcycloheptyl)methyl]propan-2-amine (PubChem CID 81025607) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[(2-pyrazin-2-ylcycloheptyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-pyrazin-2-ylcycloheptyl)methyl]propan-2-amine
PubChem CID81025607
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[(2-pyrazin-2-ylcycloheptyl)methyl]propan-2-amine
SMILESCC(C)NCC1CCCCCC1c1cnccn1
InChIInChI=1S/C15H25N3/c1-12(2)18-10-13-6-4-3-5-7-14(13)15-11-16-8-9-17-15/h8-9,11-14,18H,3-7,10H2,1-2H3
InChIKeyWTTXEMNGOFQIMQ-UHFFFAOYSA-N
XLogP3.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrazin-2-ylcycloheptyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-pyrazin-2-ylcycloheptyl)methyl]propan-2-amine (CID 81025607) is N-[(2-pyrazin-2-ylcycloheptyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-pyrazin-2-ylcycloheptyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-pyrazin-2-ylcycloheptyl)methyl]propan-2-amine is CC(C)NCC1CCCCCC1c1cnccn1.
What is the InChIKey of N-[(2-pyrazin-2-ylcycloheptyl)methyl]propan-2-amine?
The InChIKey is WTTXEMNGOFQIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12(2)18-10-13-6-4-3-5-7-14(13)15-11-16-8-9-17-15/h8-9,11-14,18H,3-7,10H2,1-2H3.
What are the key properties of N-[(2-pyrazin-2-ylcycloheptyl)methyl]propan-2-amine?
N-[(2-pyrazin-2-ylcycloheptyl)methyl]propan-2-amine has a molecular weight of 247.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrazin-2-ylcycloheptyl)methyl]propan-2-amine is sourced from PubChem (CID 81025607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).