2-N,2-N,2-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine

C12H27N3 — CID 103605340

IUPAC2-N,2-N,2-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
SMILESCN(C)C(C)(C)CNCCN1CCCC1
InChIInChI=1S/C12H27N3/c1-12(2,14(3)4)11-13-7-10-15-8-5-6-9-15/h13H,5-11H2,1-4H3
InChIKeyBDUVCIPBXQVYGH-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.01
Rot. Bonds6

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

2-N,2-N,2-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine (PubChem CID 103605340) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
PubChem CID103605340
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-N,2-N,2-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
SMILESCN(C)C(C)(C)CNCCN1CCCC1
InChIInChI=1S/C12H27N3/c1-12(2,14(3)4)11-13-7-10-15-8-5-6-9-15/h13H,5-11H2,1-4H3
InChIKeyBDUVCIPBXQVYGH-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 107911941
2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
CID 115651559
2,2-dimethyl-3-(2-pyrrolidin-1-ylethylamino)propan-1-ol
CID 81413940
2-methoxy-2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 103019916
2-N,2-N,2-trimethyl-1-N-[2-(1-methylpiperidin-2-yl)ethyl]propane-1,2-diamine
CID 55024501
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
CID 28653628
1-(dimethylamino)-3-(2-pyrrolidin-1-ylethylamino)propan-2-ol
CID 62641762
2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 62989599
N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 53215588
1-N-[2-(tert-butylamino)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 107444652
N-(2-iodoethyl)-2-piperidin-1-ylethanamine
CID 122495031

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine (CID 103605340) is 2-N,2-N,2-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine is CN(C)C(C)(C)CNCCN1CCCC1.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine?
The InChIKey is BDUVCIPBXQVYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-12(2,14(3)4)11-13-7-10-15-8-5-6-9-15/h13H,5-11H2,1-4H3.
What are the key properties of 2-N,2-N,2-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine?
2-N,2-N,2-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine is sourced from PubChem (CID 103605340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).