2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine

C15H25N3O — CID 62569910

IUPAC2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine
SMILESCC(CNCC1CCCO1)N(C)Cc1ccncc1
InChIInChI=1S/C15H25N3O/c1-13(10-17-11-15-4-3-9-19-15)18(2)12-14-5-7-16-8-6-14/h5-8,13,15,17H,3-4,9-12H2,1-2H3
InChIKeyMTFIPSKAABZLJP-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.67
Rot. Bonds7

About 2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine

2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine (PubChem CID 62569910) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine
PubChem CID62569910
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine
SMILESCC(CNCC1CCCO1)N(C)Cc1ccncc1
InChIInChI=1S/C15H25N3O/c1-13(10-17-11-15-4-3-9-19-15)18(2)12-14-5-7-16-8-6-14/h5-8,13,15,17H,3-4,9-12H2,1-2H3
InChIKeyMTFIPSKAABZLJP-UHFFFAOYSA-N
XLogP1.67
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 62569616
N,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine
CID 78914378
2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine
CID 62568854
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
CID 40654008
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630
1-benzyl-3-[[(2S)-oxolan-2-yl]methyl]-1-(pyridin-4-ylmethyl)thiourea
CID 40572590
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 63939905
(2R)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pentan-1-amine
CID 28619216
N,N-dimethyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 834270
1-methyl-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-(pyridin-4-ylmethyl)urea
CID 95643433
[(2S)-oxolan-2-yl]methyl-(pyridin-4-ylmethyl)carbamic acid;hydrochloride
CID 66997327
1-[(2S)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)-N-(thiophen-2-ylmethyl)methanamine
CID 95904603

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine (CID 62569910) is 2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine is CC(CNCC1CCCO1)N(C)Cc1ccncc1.
What is the InChIKey of 2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine?
The InChIKey is MTFIPSKAABZLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13(10-17-11-15-4-3-9-19-15)18(2)12-14-5-7-16-8-6-14/h5-8,13,15,17H,3-4,9-12H2,1-2H3.
What are the key properties of 2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine?
2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine has a molecular weight of 263.38 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 62569910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).