N-[[1-methyl-3-[(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine

C17H34N4 — CID 123371762

IUPACN-[[1-methyl-3-[(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1(CC2CC3(CCN2)CN(C)C3)CCN(C)C1
InChIInChI=1S/C17H34N4/c1-4-18-11-16(6-8-20(2)12-16)9-15-10-17(5-7-19-15)13-21(3)14-17/h15,18-19H,4-14H2,1-3H3
InChIKeyQPAGNCKGZVFYCV-UHFFFAOYSA-N
MW294.49 g/mol
LogP0.99
Rot. Bonds5

About N-[[1-methyl-3-[(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine

N-[[1-methyl-3-[(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 123371762) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is N-[[1-methyl-3-[(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-methyl-3-[(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine
PubChem CID123371762
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC NameN-[[1-methyl-3-[(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1(CC2CC3(CCN2)CN(C)C3)CCN(C)C1
InChIInChI=1S/C17H34N4/c1-4-18-11-16(6-8-20(2)12-16)9-15-10-17(5-7-19-15)13-21(3)14-17/h15,18-19H,4-14H2,1-3H3
InChIKeyQPAGNCKGZVFYCV-UHFFFAOYSA-N
XLogP0.99
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-methyl-3-[(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-3-[(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-methyl-3-[(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine (CID 123371762) is N-[[1-methyl-3-[(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-methyl-3-[(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-methyl-3-[(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine is CCNCC1(CC2CC3(CCN2)CN(C)C3)CCN(C)C1.
What is the InChIKey of N-[[1-methyl-3-[(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is QPAGNCKGZVFYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-4-18-11-16(6-8-20(2)12-16)9-15-10-17(5-7-19-15)13-21(3)14-17/h15,18-19H,4-14H2,1-3H3.
What are the key properties of N-[[1-methyl-3-[(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine?
N-[[1-methyl-3-[(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 294.49 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-3-[(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 123371762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).