N-[7-[3-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]propyl]-7-azaspiro[3.5]nonan-3-yl]propanamide

C21H42N4O — CID 166466813

IUPACN-[7-[3-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]propyl]-7-azaspiro[3.5]nonan-3-yl]propanamide
SMILESCCC(=O)NC1CCC12CCN(CCCN(C)CCN(C)C(C)C)CC2
InChIInChI=1S/C21H42N4O/c1-6-20(26)22-19-8-9-21(19)10-14-25(15-11-21)13-7-12-23(4)16-17-24(5)18(2)3/h18-19H,6-17H2,1-5H3,(H,22,26)
InChIKeyQHQLTSWCORSUNA-UHFFFAOYSA-N
MW366.59 g/mol
LogP2.42
Rot. Bonds10

About N-[7-[3-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]propyl]-7-azaspiro[3.5]nonan-3-yl]propanamide

N-[7-[3-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]propyl]-7-azaspiro[3.5]nonan-3-yl]propanamide (PubChem CID 166466813) has the molecular formula C21H42N4O and a molecular weight of 366.59 g/mol. Its IUPAC name is N-[7-[3-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]propyl]-7-azaspiro[3.5]nonan-3-yl]propanamide.

Molecular Properties

Compound NameN-[7-[3-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]propyl]-7-azaspiro[3.5]nonan-3-yl]propanamide
PubChem CID166466813
Molecular FormulaC21H42N4O
Molecular Weight366.59 g/mol
Exact Mass366.34
IUPAC NameN-[7-[3-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]propyl]-7-azaspiro[3.5]nonan-3-yl]propanamide
SMILESCCC(=O)NC1CCC12CCN(CCCN(C)CCN(C)C(C)C)CC2
InChIInChI=1S/C21H42N4O/c1-6-20(26)22-19-8-9-21(19)10-14-25(15-11-21)13-7-12-23(4)16-17-24(5)18(2)3/h18-19H,6-17H2,1-5H3,(H,22,26)
InChIKeyQHQLTSWCORSUNA-UHFFFAOYSA-N
XLogP2.42
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[7-[3-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]propyl]-7-azaspiro[3.5]nonan-3-yl]propanamide with MolForge

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Related Compounds

ethane;N-[3-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]propyl]propanamide
CID 171070832
1-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]ethanone
CID 59289508
ethane;[7-[2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]ethyl]-7-azaspiro[3.5]nonan-2-yl]methanol
CID 170569478
N-[7-[2-[methyl(propan-2-yl)amino]acetyl]-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide
CID 131691829
N-methyl-1-[3-[methyl(propan-2-yl)amino]propyl]pyrrolidin-3-amine
CID 106039993
ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate
CID 62011437
molecular hydrogen;N-[[6-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]propanamide
CID 154671501
N-(2,2-dimethylcyclopentyl)propanamide;ethane
CID 171523007
N'-methyl-N'-propan-2-yl-N-spiro[3.5]nonan-3-ylethane-1,2-diamine
CID 102951849
3-[methyl(3-morpholin-4-ylpropyl)amino]propanoic acid
CID 82328722
N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 71193586
methyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate
CID 115630551

Frequently Asked Questions

What is the IUPAC name of N-[7-[3-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]propyl]-7-azaspiro[3.5]nonan-3-yl]propanamide?
The IUPAC name of N-[7-[3-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]propyl]-7-azaspiro[3.5]nonan-3-yl]propanamide (CID 166466813) is N-[7-[3-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]propyl]-7-azaspiro[3.5]nonan-3-yl]propanamide.
What is the SMILES notation for N-[7-[3-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]propyl]-7-azaspiro[3.5]nonan-3-yl]propanamide?
The canonical SMILES for N-[7-[3-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]propyl]-7-azaspiro[3.5]nonan-3-yl]propanamide is CCC(=O)NC1CCC12CCN(CCCN(C)CCN(C)C(C)C)CC2.
What is the InChIKey of N-[7-[3-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]propyl]-7-azaspiro[3.5]nonan-3-yl]propanamide?
The InChIKey is QHQLTSWCORSUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N4O/c1-6-20(26)22-19-8-9-21(19)10-14-25(15-11-21)13-7-12-23(4)16-17-24(5)18(2)3/h18-19H,6-17H2,1-5H3,(H,22,26).
What are the key properties of N-[7-[3-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]propyl]-7-azaspiro[3.5]nonan-3-yl]propanamide?
N-[7-[3-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]propyl]-7-azaspiro[3.5]nonan-3-yl]propanamide has a molecular weight of 366.59 g/mol, XLogP of 2.42, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[3-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]propyl]-7-azaspiro[3.5]nonan-3-yl]propanamide is sourced from PubChem (CID 166466813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).