N'-methyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine

C17H29N3 — CID 63321985

IUPACN'-methyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine
SMILESCN(CCCC(N)c1ccccc1)CCN1CCCC1
InChIInChI=1S/C17H29N3/c1-19(14-15-20-12-5-6-13-20)11-7-10-17(18)16-8-3-2-4-9-16/h2-4,8-9,17H,5-7,10-15,18H2,1H3
InChIKeyVGCUAORDLJFVIT-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.49
Rot. Bonds8

About N'-methyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine

N'-methyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine (PubChem CID 63321985) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N'-methyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine
PubChem CID63321985
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN'-methyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine
SMILESCN(CCCC(N)c1ccccc1)CCN1CCCC1
InChIInChI=1S/C17H29N3/c1-19(14-15-20-12-5-6-13-20)11-7-10-17(18)16-8-3-2-4-9-16/h2-4,8-9,17H,5-7,10-15,18H2,1H3
InChIKeyVGCUAORDLJFVIT-UHFFFAOYSA-N
XLogP2.49
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine?
The IUPAC name of N'-methyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine (CID 63321985) is N'-methyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine.
What is the SMILES notation for N'-methyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine?
The canonical SMILES for N'-methyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine is CN(CCCC(N)c1ccccc1)CCN1CCCC1.
What is the InChIKey of N'-methyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine?
The InChIKey is VGCUAORDLJFVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-19(14-15-20-12-5-6-13-20)11-7-10-17(18)16-8-3-2-4-9-16/h2-4,8-9,17H,5-7,10-15,18H2,1H3.
What are the key properties of N'-methyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine?
N'-methyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine has a molecular weight of 275.44 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine is sourced from PubChem (CID 63321985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).