N',N'-di(propan-2-yl)-N-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine

C15H33N3 — CID 79540106

IUPACN',N'-di(propan-2-yl)-N-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine
SMILESCC(CC1CCCN1)NCCN(C(C)C)C(C)C
InChIInChI=1S/C15H33N3/c1-12(2)18(13(3)4)10-9-16-14(5)11-15-7-6-8-17-15/h12-17H,6-11H2,1-5H3
InChIKeyONKNOMQHYFKPHY-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.23
Rot. Bonds8

About N',N'-di(propan-2-yl)-N-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine

N',N'-di(propan-2-yl)-N-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine (PubChem CID 79540106) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N',N'-di(propan-2-yl)-N-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-di(propan-2-yl)-N-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine
PubChem CID79540106
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN',N'-di(propan-2-yl)-N-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine
SMILESCC(CC1CCCN1)NCCN(C(C)C)C(C)C
InChIInChI=1S/C15H33N3/c1-12(2)18(13(3)4)10-9-16-14(5)11-15-7-6-8-17-15/h12-17H,6-11H2,1-5H3
InChIKeyONKNOMQHYFKPHY-UHFFFAOYSA-N
XLogP2.23
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79552895
N'-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79540795
N-(2-cyclopropylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541627
4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine
CID 79540929
N-(2-cyclohexylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541429
3-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid
CID 79541025
3,3,3-trifluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)propan-1-amine
CID 79539962
N-(2-cyclopentyloxyethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79539845
4-methoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine
CID 79541172
N-(3-ethoxypropyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541660
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79539939
1-(azepan-2-yl)-N-(2-methylsulfonylethyl)propan-2-amine
CID 79560223

Frequently Asked Questions

What is the IUPAC name of N',N'-di(propan-2-yl)-N-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-di(propan-2-yl)-N-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine (CID 79540106) is N',N'-di(propan-2-yl)-N-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-di(propan-2-yl)-N-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-di(propan-2-yl)-N-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine is CC(CC1CCCN1)NCCN(C(C)C)C(C)C.
What is the InChIKey of N',N'-di(propan-2-yl)-N-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine?
The InChIKey is ONKNOMQHYFKPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-12(2)18(13(3)4)10-9-16-14(5)11-15-7-6-8-17-15/h12-17H,6-11H2,1-5H3.
What are the key properties of N',N'-di(propan-2-yl)-N-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine?
N',N'-di(propan-2-yl)-N-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-di(propan-2-yl)-N-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 79540106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).