1-(aminomethyl)-N-ethyl-N-(2-pyrazol-1-ylethyl)cycloheptan-1-amine

C15H28N4 — CID 62010529

IUPAC1-(aminomethyl)-N-ethyl-N-(2-pyrazol-1-ylethyl)cycloheptan-1-amine
SMILESCCN(CCn1cccn1)C1(CN)CCCCCC1
InChIInChI=1S/C15H28N4/c1-2-18(12-13-19-11-7-10-17-19)15(14-16)8-5-3-4-6-9-15/h7,10-11H,2-6,8-9,12-14,16H2,1H3
InChIKeyBHRZYTJUNSPTRD-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.26
Rot. Bonds6

About 1-(aminomethyl)-N-ethyl-N-(2-pyrazol-1-ylethyl)cycloheptan-1-amine

1-(aminomethyl)-N-ethyl-N-(2-pyrazol-1-ylethyl)cycloheptan-1-amine (PubChem CID 62010529) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-(2-pyrazol-1-ylethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-(2-pyrazol-1-ylethyl)cycloheptan-1-amine
PubChem CID62010529
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-(aminomethyl)-N-ethyl-N-(2-pyrazol-1-ylethyl)cycloheptan-1-amine
SMILESCCN(CCn1cccn1)C1(CN)CCCCCC1
InChIInChI=1S/C15H28N4/c1-2-18(12-13-19-11-7-10-17-19)15(14-16)8-5-3-4-6-9-15/h7,10-11H,2-6,8-9,12-14,16H2,1H3
InChIKeyBHRZYTJUNSPTRD-UHFFFAOYSA-N
XLogP2.26
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-pyrazol-1-ylethyl)cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-pyrazol-1-ylethyl)cycloheptan-1-amine (CID 62010529) is 1-(aminomethyl)-N-ethyl-N-(2-pyrazol-1-ylethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-(2-pyrazol-1-ylethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-(2-pyrazol-1-ylethyl)cycloheptan-1-amine is CCN(CCn1cccn1)C1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-(2-pyrazol-1-ylethyl)cycloheptan-1-amine?
The InChIKey is BHRZYTJUNSPTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-2-18(12-13-19-11-7-10-17-19)15(14-16)8-5-3-4-6-9-15/h7,10-11H,2-6,8-9,12-14,16H2,1H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-(2-pyrazol-1-ylethyl)cycloheptan-1-amine?
1-(aminomethyl)-N-ethyl-N-(2-pyrazol-1-ylethyl)cycloheptan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-(2-pyrazol-1-ylethyl)cycloheptan-1-amine is sourced from PubChem (CID 62010529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).