1-(2,2-dimethyloxan-4-yl)-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]methanamine

C20H34N4O — CID 45251381

IUPAC1-(2,2-dimethyloxan-4-yl)-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]methanamine
SMILESCN1CCCN(c2ncccc2CNCC2CCOC(C)(C)C2)CC1
InChIInChI=1S/C20H34N4O/c1-20(2)14-17(7-13-25-20)15-21-16-18-6-4-8-22-19(18)24-10-5-9-23(3)11-12-24/h4,6,8,17,21H,5,7,9-16H2,1-3H3
InChIKeyIXRNBBSEKXLTPY-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.52
Rot. Bonds5

About 1-(2,2-dimethyloxan-4-yl)-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]methanamine

1-(2,2-dimethyloxan-4-yl)-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]methanamine (PubChem CID 45251381) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-(2,2-dimethyloxan-4-yl)-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]methanamine.

Molecular Properties

Compound Name1-(2,2-dimethyloxan-4-yl)-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]methanamine
PubChem CID45251381
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name1-(2,2-dimethyloxan-4-yl)-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]methanamine
SMILESCN1CCCN(c2ncccc2CNCC2CCOC(C)(C)C2)CC1
InChIInChI=1S/C20H34N4O/c1-20(2)14-17(7-13-25-20)15-21-16-18-6-4-8-22-19(18)24-10-5-9-23(3)11-12-24/h4,6,8,17,21H,5,7,9-16H2,1-3H3
InChIKeyIXRNBBSEKXLTPY-UHFFFAOYSA-N
XLogP2.52
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,2-dimethyloxan-4-yl)-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

3-[[[(4S)-2,2-dimethyloxan-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine
CID 25447986
2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62278791
N-[(5-ethylfuran-2-yl)methyl]-1-[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methanamine
CID 26394420
1-[(1S)-cyclohex-3-en-1-yl]-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]methanamine
CID 124568387
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine
CID 45198325
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62286453
N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide
CID 29087481
2-[(1R)-cyclopent-2-en-1-yl]-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 94816976
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 56705354
N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 26402282
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119902772
(3R)-1-[3-[[(5-methylfuran-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol
CID 25282607

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyloxan-4-yl)-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]methanamine?
The IUPAC name of 1-(2,2-dimethyloxan-4-yl)-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]methanamine (CID 45251381) is 1-(2,2-dimethyloxan-4-yl)-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]methanamine.
What is the SMILES notation for 1-(2,2-dimethyloxan-4-yl)-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]methanamine?
The canonical SMILES for 1-(2,2-dimethyloxan-4-yl)-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]methanamine is CN1CCCN(c2ncccc2CNCC2CCOC(C)(C)C2)CC1.
What is the InChIKey of 1-(2,2-dimethyloxan-4-yl)-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]methanamine?
The InChIKey is IXRNBBSEKXLTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-20(2)14-17(7-13-25-20)15-21-16-18-6-4-8-22-19(18)24-10-5-9-23(3)11-12-24/h4,6,8,17,21H,5,7,9-16H2,1-3H3.
What are the key properties of 1-(2,2-dimethyloxan-4-yl)-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]methanamine?
1-(2,2-dimethyloxan-4-yl)-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]methanamine has a molecular weight of 346.52 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyloxan-4-yl)-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]methanamine is sourced from PubChem (CID 45251381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).