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

C14H31N3 — CID 66453884

IUPAC1-N,3-N,2,2-tetramethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine
SMILESCNC(C)C(C)(C)CN(C)CCN1CCCC1
InChIInChI=1S/C14H31N3/c1-13(15-4)14(2,3)12-16(5)10-11-17-8-6-7-9-17/h13,15H,6-12H2,1-5H3
InChIKeyCAFVCUDXTFHZTP-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds7

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

1-N,3-N,2,2-tetramethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine (PubChem CID 66453884) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-N,3-N,2,2-tetramethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N,2,2-tetramethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine
PubChem CID66453884
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name1-N,3-N,2,2-tetramethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine
SMILESCNC(C)C(C)(C)CN(C)CCN1CCCC1
InChIInChI=1S/C14H31N3/c1-13(15-4)14(2,3)12-16(5)10-11-17-8-6-7-9-17/h13,15H,6-12H2,1-5H3
InChIKeyCAFVCUDXTFHZTP-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol
CID 114448987
2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)propanoic acid
CID 63211201
1-N,3-N,2,2-tetramethyl-1-N-(2-methylsulfanylethyl)butane-1,3-diamine
CID 112664734
N,2-dimethyl-N'-propan-2-yl-2-propyl-N-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 63210997
N',2,2-trimethyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 63211260
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-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 63211386
N,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 10266776
1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 63207042
N,N'-dimethyl-N'-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]ethane-1,2-diamine
CID 10105808
1-N,3,3-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63206956
2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)butanenitrile
CID 63211108

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,2,2-tetramethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine?
The IUPAC name of 1-N,3-N,2,2-tetramethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine (CID 66453884) is 1-N,3-N,2,2-tetramethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N,3-N,2,2-tetramethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine?
The canonical SMILES for 1-N,3-N,2,2-tetramethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine is CNC(C)C(C)(C)CN(C)CCN1CCCC1.
What is the InChIKey of 1-N,3-N,2,2-tetramethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine?
The InChIKey is CAFVCUDXTFHZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-13(15-4)14(2,3)12-16(5)10-11-17-8-6-7-9-17/h13,15H,6-12H2,1-5H3.
What are the key properties of 1-N,3-N,2,2-tetramethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine?
1-N,3-N,2,2-tetramethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,2,2-tetramethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine is sourced from PubChem (CID 66453884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).