N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine

C17H37N3 — CID 63211386

IUPACN-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
SMILESCCC(C)(CNC(C)(C)C)CN(C)CCN1CCCC1
InChIInChI=1S/C17H37N3/c1-7-17(5,14-18-16(2,3)4)15-19(6)12-13-20-10-8-9-11-20/h18H,7-15H2,1-6H3
InChIKeyRVDIYZXJRPMNCR-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.82
Rot. Bonds8

About N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine

N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine (PubChem CID 63211386) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
PubChem CID63211386
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC NameN-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
SMILESCCC(C)(CNC(C)(C)C)CN(C)CCN1CCCC1
InChIInChI=1S/C17H37N3/c1-7-17(5,14-18-16(2,3)4)15-19(6)12-13-20-10-8-9-11-20/h18H,7-15H2,1-6H3
InChIKeyRVDIYZXJRPMNCR-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N'-propan-2-yl-2-propyl-N-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 63210997
N,2,2-triethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 55163819
N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 63211040
N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62257217
2,2-diethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 55163623
N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N',2-dimethylpropane-1,3-diamine
CID 105417150
2-(tert-butylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 78926215
1-N,3-N,2,2-tetramethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine
CID 66453884
N-ethyl-N-methyl-2-piperidin-1-ylethanamine
CID 18427099
2,3-dimethyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol
CID 114448987
N-tert-butyl-2-ethyl-2-methyl-N',N'-dipropylpropane-1,3-diamine
CID 62263394
N-tert-butyl-2-ethyl-2-methylbutan-1-amine
CID 62724057

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine?
The IUPAC name of N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine (CID 63211386) is N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine is CCC(C)(CNC(C)(C)C)CN(C)CCN1CCCC1.
What is the InChIKey of N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine?
The InChIKey is RVDIYZXJRPMNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-7-17(5,14-18-16(2,3)4)15-19(6)12-13-20-10-8-9-11-20/h18H,7-15H2,1-6H3.
What are the key properties of N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine?
N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine has a molecular weight of 283.50 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 63211386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).