2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine

C15H33N3 — CID 63209169

IUPAC2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
SMILESCCC(CNCC(C)C)N(C)CCN1CCCC1
InChIInChI=1S/C15H33N3/c1-5-15(13-16-12-14(2)3)17(4)10-11-18-8-6-7-9-18/h14-16H,5-13H2,1-4H3
InChIKeyCCNMGIQSRQJIKB-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.04
Rot. Bonds9

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

2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine (PubChem CID 63209169) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
PubChem CID63209169
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
SMILESCCC(CNCC(C)C)N(C)CCN1CCCC1
InChIInChI=1S/C15H33N3/c1-5-15(13-16-12-14(2)3)17(4)10-11-18-8-6-7-9-18/h14-16H,5-13H2,1-4H3
InChIKeyCCNMGIQSRQJIKB-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2-N-dimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine
CID 83054321
2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
CID 115773280
2-N-methyl-2-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62422422
1-N-tert-butyl-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine
CID 83054412
1-N-(2-methoxyethyl)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 63208838
N-[2-(azocan-1-yl)ethyl]-2-methylpropan-1-amine
CID 62419801
2-N,4-N-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine
CID 64708266
2-N-methyl-1-N-pentan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 55163822
N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 63211040
2-N-ethyl-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine
CID 64708264
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine
CID 55072634
2-methyl-N-[2-(2-pyrrolidin-1-ylethoxy)propyl]propan-1-amine
CID 62460018

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine (CID 63209169) is 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine is CCC(CNCC(C)C)N(C)CCN1CCCC1.
What is the InChIKey of 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine?
The InChIKey is CCNMGIQSRQJIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-5-15(13-16-12-14(2)3)17(4)10-11-18-8-6-7-9-18/h14-16H,5-13H2,1-4H3.
What are the key properties of 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine?
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine is sourced from PubChem (CID 63209169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).