N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)-1-(oxolan-3-yl)ethane-1,2-diamine

C14H29N3O — CID 104745948

IUPACN,N'-dimethyl-N'-(1-methylpiperidin-3-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCNC(CN(C)C1CCCN(C)C1)C1CCOC1
InChIInChI=1S/C14H29N3O/c1-15-14(12-6-8-18-11-12)10-17(3)13-5-4-7-16(2)9-13/h12-15H,4-11H2,1-3H3
InChIKeyRDALFBLHRBFAOQ-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.64
Rot. Bonds5

About N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)-1-(oxolan-3-yl)ethane-1,2-diamine

N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)-1-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 104745948) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)-1-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(1-methylpiperidin-3-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID104745948
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN,N'-dimethyl-N'-(1-methylpiperidin-3-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCNC(CN(C)C1CCCN(C)C1)C1CCOC1
InChIInChI=1S/C14H29N3O/c1-15-14(12-6-8-18-11-12)10-17(3)13-5-4-7-16(2)9-13/h12-15H,4-11H2,1-3H3
InChIKeyRDALFBLHRBFAOQ-UHFFFAOYSA-N
XLogP0.64
TPSA27.74 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 ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 104745946
N'-cyclopentyl-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744659
1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 104744435
N'-cyclopentyl-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104746790
N'-cycloheptyl-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104744950
N-[(4-aminooxan-3-yl)methyl]-N,1-dimethylpiperidin-3-amine
CID 103059874
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 105414310
N,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745169
N'-cycloheptyl-1-cyclopropyl-N,N'-dimethylethane-1,2-diamine
CID 63914736
N-ethyl-N'-methyl-N',1-bis(oxolan-3-yl)ethane-1,2-diamine
CID 104746914
2-[cyclohexyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752424
N'-(1-ethylpiperidin-4-yl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104745572

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)-1-(oxolan-3-yl)ethane-1,2-diamine (CID 104745948) is N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)-1-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)-1-(oxolan-3-yl)ethane-1,2-diamine is CNC(CN(C)C1CCCN(C)C1)C1CCOC1.
What is the InChIKey of N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is RDALFBLHRBFAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-15-14(12-6-8-18-11-12)10-17(3)13-5-4-7-16(2)9-13/h12-15H,4-11H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)-1-(oxolan-3-yl)ethane-1,2-diamine?
N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)-1-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 255.41 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)-1-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 104745948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).