N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine

C14H29N3O — CID 79304121

IUPACN-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
SMILESCN1CCCC1CN(C)C(CN)C1CCOCC1
InChIInChI=1S/C14H29N3O/c1-16-7-3-4-13(16)11-17(2)14(10-15)12-5-8-18-9-6-12/h12-14H,3-11,15H2,1-2H3
InChIKeyUHRLBKXHWONTGM-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.77
Rot. Bonds5

About N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine

N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 79304121) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
PubChem CID79304121
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
SMILESCN1CCCC1CN(C)C(CN)C1CCOCC1
InChIInChI=1S/C14H29N3O/c1-16-7-3-4-13(16)11-17(2)14(10-15)12-5-8-18-9-6-12/h12-14H,3-11,15H2,1-2H3
InChIKeyUHRLBKXHWONTGM-UHFFFAOYSA-N
XLogP0.77
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cycloheptyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303833
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-(oxan-3-yl)ethane-1,2-diamine
CID 79314280
N-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 62386315
N-methyl-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 62386119
1-cyclopropyl-N-methyl-N-(2-morpholin-4-ylethyl)ethane-1,2-diamine
CID 116652523
N-(cyclopropylmethyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 60984338
1-cyclopentyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63233100
N-cyclopropyl-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 62384670
1-(5-ethylfuran-2-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303093
3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
CID 79314030

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine (CID 79304121) is N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine is CN1CCCC1CN(C)C(CN)C1CCOCC1.
What is the InChIKey of N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is UHRLBKXHWONTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-16-7-3-4-13(16)11-17(2)14(10-15)12-5-8-18-9-6-12/h12-14H,3-11,15H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine?
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 255.41 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 79304121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).