2-[(6S)-4,6-dimethylpiperazin-2-yl]-N-(spiro[3.5]nonan-7-ylmethyl)ethanamine

C18H35N3 — CID 143182317

IUPAC2-[(6S)-4,6-dimethylpiperazin-2-yl]-N-(spiro[3.5]nonan-7-ylmethyl)ethanamine
SMILESC[C@H]1CN(C)CC(CCNCC2CCC3(CCC3)CC2)N1
InChIInChI=1S/C18H35N3/c1-15-13-21(2)14-17(20-15)6-11-19-12-16-4-9-18(10-5-16)7-3-8-18/h15-17,19-20H,3-14H2,1-2H3/t15-,17?/m0/s1
InChIKeyPJEABLTYXOHTKW-MYJWUSKBSA-N
MW293.50 g/mol
LogP2.62
Rot. Bonds5

About 2-[(6S)-4,6-dimethylpiperazin-2-yl]-N-(spiro[3.5]nonan-7-ylmethyl)ethanamine

2-[(6S)-4,6-dimethylpiperazin-2-yl]-N-(spiro[3.5]nonan-7-ylmethyl)ethanamine (PubChem CID 143182317) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 2-[(6S)-4,6-dimethylpiperazin-2-yl]-N-(spiro[3.5]nonan-7-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[(6S)-4,6-dimethylpiperazin-2-yl]-N-(spiro[3.5]nonan-7-ylmethyl)ethanamine
PubChem CID143182317
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name2-[(6S)-4,6-dimethylpiperazin-2-yl]-N-(spiro[3.5]nonan-7-ylmethyl)ethanamine
SMILESC[C@H]1CN(C)CC(CCNCC2CCC3(CCC3)CC2)N1
InChIInChI=1S/C18H35N3/c1-15-13-21(2)14-17(20-15)6-11-19-12-16-4-9-18(10-5-16)7-3-8-18/h15-17,19-20H,3-14H2,1-2H3/t15-,17?/m0/s1
InChIKeyPJEABLTYXOHTKW-MYJWUSKBSA-N
XLogP2.62
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6S)-4,6-dimethylpiperazin-2-yl]-N-(spiro[3.5]nonan-7-ylmethyl)ethanamine?
The IUPAC name of 2-[(6S)-4,6-dimethylpiperazin-2-yl]-N-(spiro[3.5]nonan-7-ylmethyl)ethanamine (CID 143182317) is 2-[(6S)-4,6-dimethylpiperazin-2-yl]-N-(spiro[3.5]nonan-7-ylmethyl)ethanamine.
What is the SMILES notation for 2-[(6S)-4,6-dimethylpiperazin-2-yl]-N-(spiro[3.5]nonan-7-ylmethyl)ethanamine?
The canonical SMILES for 2-[(6S)-4,6-dimethylpiperazin-2-yl]-N-(spiro[3.5]nonan-7-ylmethyl)ethanamine is C[C@H]1CN(C)CC(CCNCC2CCC3(CCC3)CC2)N1.
What is the InChIKey of 2-[(6S)-4,6-dimethylpiperazin-2-yl]-N-(spiro[3.5]nonan-7-ylmethyl)ethanamine?
The InChIKey is PJEABLTYXOHTKW-MYJWUSKBSA-N. The full InChI is InChI=1S/C18H35N3/c1-15-13-21(2)14-17(20-15)6-11-19-12-16-4-9-18(10-5-16)7-3-8-18/h15-17,19-20H,3-14H2,1-2H3/t15-,17?/m0/s1.
What are the key properties of 2-[(6S)-4,6-dimethylpiperazin-2-yl]-N-(spiro[3.5]nonan-7-ylmethyl)ethanamine?
2-[(6S)-4,6-dimethylpiperazin-2-yl]-N-(spiro[3.5]nonan-7-ylmethyl)ethanamine has a molecular weight of 293.50 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6S)-4,6-dimethylpiperazin-2-yl]-N-(spiro[3.5]nonan-7-ylmethyl)ethanamine is sourced from PubChem (CID 143182317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).