1-N,3,3-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine

C13H29N3 — CID 63206956

IUPAC1-N,3,3-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
SMILESCN(CCN1CCCC1)CC(N)C(C)(C)C
InChIInChI=1S/C13H29N3/c1-13(2,3)12(14)11-15(4)9-10-16-7-5-6-8-16/h12H,5-11,14H2,1-4H3
InChIKeyBIIRKBMNZWUTOZ-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.39
Rot. Bonds5

About 1-N,3,3-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine

1-N,3,3-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine (PubChem CID 63206956) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-N,3,3-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N,3,3-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
PubChem CID63206956
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1-N,3,3-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
SMILESCN(CCN1CCCC1)CC(N)C(C)(C)C
InChIInChI=1S/C13H29N3/c1-13(2,3)12(14)11-15(4)9-10-16-7-5-6-8-16/h12H,5-11,14H2,1-4H3
InChIKeyBIIRKBMNZWUTOZ-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 63207042
1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,2-diamine
CID 63209097
4-methoxy-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63208714
1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol
CID 63207611
2,3-dimethyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol
CID 114448987
N,N,N'-trimethyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 156728125
N-ethyl-N-methyl-2-piperidin-1-ylethanamine
CID 18427099
2-amino-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butanoic acid
CID 63211113
N',2,2-trimethyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 63211260
1-(4-methoxyphenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206777
ethyl 3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)propanoate
CID 63211159
1-N,3-N,2,2-tetramethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine
CID 66453884

Frequently Asked Questions

What is the IUPAC name of 1-N,3,3-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine?
The IUPAC name of 1-N,3,3-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine (CID 63206956) is 1-N,3,3-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine.
What is the SMILES notation for 1-N,3,3-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine?
The canonical SMILES for 1-N,3,3-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine is CN(CCN1CCCC1)CC(N)C(C)(C)C.
What is the InChIKey of 1-N,3,3-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine?
The InChIKey is BIIRKBMNZWUTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-13(2,3)12(14)11-15(4)9-10-16-7-5-6-8-16/h12H,5-11,14H2,1-4H3.
What are the key properties of 1-N,3,3-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine?
1-N,3,3-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3,3-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine is sourced from PubChem (CID 63206956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).