N,N,N'-trimethyl-N'-[(3-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine

C11H25N3 — CID 63701115

IUPACN,N,N'-trimethyl-N'-[(3-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
SMILESCN(C)CCN(C)CC1(C)CCNC1
InChIInChI=1S/C11H25N3/c1-11(5-6-12-9-11)10-14(4)8-7-13(2)3/h12H,5-10H2,1-4H3
InChIKeyJACOWRKUBKOGLV-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.48
Rot. Bonds5

About N,N,N'-trimethyl-N'-[(3-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[(3-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine (PubChem CID 63701115) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[(3-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[(3-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
PubChem CID63701115
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN,N,N'-trimethyl-N'-[(3-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
SMILESCN(C)CCN(C)CC1(C)CCNC1
InChIInChI=1S/C11H25N3/c1-11(5-6-12-9-11)10-14(4)8-7-13(2)3/h12H,5-10H2,1-4H3
InChIKeyJACOWRKUBKOGLV-UHFFFAOYSA-N
XLogP0.48
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[(3-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[(3-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine (CID 63701115) is N,N,N'-trimethyl-N'-[(3-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[(3-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[(3-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine is CN(C)CCN(C)CC1(C)CCNC1.
What is the InChIKey of N,N,N'-trimethyl-N'-[(3-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is JACOWRKUBKOGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-11(5-6-12-9-11)10-14(4)8-7-13(2)3/h12H,5-10H2,1-4H3.
What are the key properties of N,N,N'-trimethyl-N'-[(3-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[(3-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 199.34 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[(3-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 63701115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).