N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine

C15H31N3O — CID 79314280

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine
SMILESCCN1CCCC1CN(C)C(CN)C1CCCOC1
InChIInChI=1S/C15H31N3O/c1-3-18-8-4-7-14(18)11-17(2)15(10-16)13-6-5-9-19-12-13/h13-15H,3-12,16H2,1-2H3
InChIKeyADOQNTOOZZXZJP-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.16
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine (PubChem CID 79314280) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine
PubChem CID79314280
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine
SMILESCCN1CCCC1CN(C)C(CN)C1CCCOC1
InChIInChI=1S/C15H31N3O/c1-3-18-8-4-7-14(18)11-17(2)15(10-16)13-6-5-9-19-12-13/h13-15H,3-12,16H2,1-2H3
InChIKeyADOQNTOOZZXZJP-UHFFFAOYSA-N
XLogP1.16
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 79303847
1-cyclopentyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
CID 79303331
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132815
N-methyl-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine
CID 63741818
1-cyclopentyl-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 55227963
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
CID 79304121
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine
CID 79302990
N-methyl-N-(2-methylsulfanylethyl)-1-(oxan-3-yl)ethane-1,2-diamine
CID 112658148
N-(2-methoxyethyl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine
CID 63742177
N-(cyclopropylmethyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 60984338
1-cycloheptyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303833
N-methyl-N-(2-methylbutan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine
CID 63983102

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine (CID 79314280) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine is CCN1CCCC1CN(C)C(CN)C1CCCOC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine?
The InChIKey is ADOQNTOOZZXZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-18-8-4-7-14(18)11-17(2)15(10-16)13-6-5-9-19-12-13/h13-15H,3-12,16H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine has a molecular weight of 269.43 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 79314280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).