2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)octane-1,2-diamine

C15H33N3 — CID 63206770

IUPAC2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)octane-1,2-diamine
SMILESCCCCCCC(CN)N(C)CCN1CCCC1
InChIInChI=1S/C15H33N3/c1-3-4-5-6-9-15(14-16)17(2)12-13-18-10-7-8-11-18/h15H,3-14,16H2,1-2H3
InChIKeyLDASRVJWCFJMHS-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.31
Rot. Bonds10

About 2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)octane-1,2-diamine

2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)octane-1,2-diamine (PubChem CID 63206770) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)octane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)octane-1,2-diamine
PubChem CID63206770
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)octane-1,2-diamine
SMILESCCCCCCC(CN)N(C)CCN1CCCC1
InChIInChI=1S/C15H33N3/c1-3-4-5-6-9-15(14-16)17(2)12-13-18-10-7-8-11-18/h15H,3-14,16H2,1-2H3
InChIKeyLDASRVJWCFJMHS-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.31
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-N-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine
CID 55193416
2-N-(2-methoxyethyl)-2-N-methyloctane-1,2-diamine
CID 61427745
4-amino-N,N-diethyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]butanamide
CID 66431891
1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,2-diamine
CID 63209097
1-N,2-N-dimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine
CID 83054321
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]octan-1-amine
CID 62886437
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylnonane-1,2-diamine
CID 79313625
2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 63207033
1-(3-pentylundecyl)pyrrolidine
CID 130279564
1-(3-pentyldecyl)pyrrolidine
CID 130279619
1-N-tert-butyl-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine
CID 83054412
1-hexylpyrrolidine;propan-2-amine
CID 166169325

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)octane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)octane-1,2-diamine (CID 63206770) is 2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)octane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)octane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)octane-1,2-diamine is CCCCCCC(CN)N(C)CCN1CCCC1.
What is the InChIKey of 2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)octane-1,2-diamine?
The InChIKey is LDASRVJWCFJMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-3-4-5-6-9-15(14-16)17(2)12-13-18-10-7-8-11-18/h15H,3-14,16H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)octane-1,2-diamine?
2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)octane-1,2-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.31, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)octane-1,2-diamine is sourced from PubChem (CID 63206770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).