N,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine

C16H37N5 — CID 10266776

IUPACN,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine
SMILESCNCCN(C)CCN(C)CCN(C)CCN1CCCC1
InChIInChI=1S/C16H37N5/c1-17-7-10-18(2)11-12-19(3)13-14-20(4)15-16-21-8-5-6-9-21/h17H,5-16H2,1-4H3
InChIKeyVMHYREJFWXGZGA-UHFFFAOYSA-N
MW299.51 g/mol
LogP0.10
Rot. Bonds12

About N,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine

N,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine (PubChem CID 10266776) has the molecular formula C16H37N5 and a molecular weight of 299.51 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine
PubChem CID10266776
Molecular FormulaC16H37N5
Molecular Weight299.51 g/mol
Exact Mass299.30
IUPAC NameN,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine
SMILESCNCCN(C)CCN(C)CCN(C)CCN1CCCC1
InChIInChI=1S/C16H37N5/c1-17-7-10-18(2)11-12-19(3)13-14-20(4)15-16-21-8-5-6-9-21/h17H,5-16H2,1-4H3
InChIKeyVMHYREJFWXGZGA-UHFFFAOYSA-N
XLogP0.10
TPSA24.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.51
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine with MolForge

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Related Compounds

N,N'-dimethyl-N'-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]ethane-1,2-diamine
CID 10105808
N,N'-dimethyl-N'-[2-[methyl(2-piperazin-1-ylethyl)amino]ethyl]ethane-1,2-diamine
CID 126510399
N,N'-dimethyl-N'-(2-morpholin-4-ylethyl)ethane-1,2-diamine
CID 43374410
N,N,N'-trimethyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 156728125
N,N'-dimethyl-N'-(3-piperidin-1-ylpropyl)butane-1,4-diamine
CID 164861314
N-cycloheptyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63208971
N,N'-dimethyl-N'-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethyl]-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 118891655
N'-methyl-N-(4-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63208755
2-methyl-2-(methylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol
CID 64790274
N-ethyl-N-methyl-2-piperidin-1-ylethanamine
CID 18427099
N'-methyl-N-(2-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63208841
2-[2-hydroxyethyl-[2-[methyl(2-piperidin-1-ylethyl)amino]ethyl]amino]ethanol
CID 139832270

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine (CID 10266776) is N,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine is CNCCN(C)CCN(C)CCN(C)CCN1CCCC1.
What is the InChIKey of N,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine?
The InChIKey is VMHYREJFWXGZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N5/c1-17-7-10-18(2)11-12-19(3)13-14-20(4)15-16-21-8-5-6-9-21/h17H,5-16H2,1-4H3.
What are the key properties of N,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine has a molecular weight of 299.51 g/mol, XLogP of 0.10, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 10266776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).