N,N-diethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine

C14H29N3 — CID 63536783

IUPACN,N-diethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CC2(C)CCNC2)C1
InChIInChI=1S/C14H29N3/c1-4-17(5-2)13-6-9-16(10-13)12-14(3)7-8-15-11-14/h13,15H,4-12H2,1-3H3
InChIKeySXCZSANCYCJVAQ-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.40
Rot. Bonds5

About N,N-diethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine

N,N-diethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 63536783) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N,N-diethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
PubChem CID63536783
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN,N-diethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CC2(C)CCNC2)C1
InChIInChI=1S/C14H29N3/c1-4-17(5-2)13-6-9-16(10-13)12-14(3)7-8-15-11-14/h13,15H,4-12H2,1-3H3
InChIKeySXCZSANCYCJVAQ-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine (CID 63536783) is N,N-diethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine is CCN(CC)C1CCN(CC2(C)CCNC2)C1.
What is the InChIKey of N,N-diethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is SXCZSANCYCJVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-4-17(5-2)13-6-9-16(10-13)12-14(3)7-8-15-11-14/h13,15H,4-12H2,1-3H3.
What are the key properties of N,N-diethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine?
N,N-diethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 239.41 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 63536783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).