1-cyclopropyl-N'-(3,3-dimethylbutan-2-yl)-N,N-dimethylethane-1,2-diamine

C13H28N2 — CID 75382833

IUPAC1-cyclopropyl-N'-(3,3-dimethylbutan-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCC(NCC(C1CC1)N(C)C)C(C)(C)C
InChIInChI=1S/C13H28N2/c1-10(13(2,3)4)14-9-12(15(5)6)11-7-8-11/h10-12,14H,7-9H2,1-6H3
InChIKeyMHYOZZSVDXYXMW-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.35
Rot. Bonds5

About 1-cyclopropyl-N'-(3,3-dimethylbutan-2-yl)-N,N-dimethylethane-1,2-diamine

1-cyclopropyl-N'-(3,3-dimethylbutan-2-yl)-N,N-dimethylethane-1,2-diamine (PubChem CID 75382833) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-cyclopropyl-N'-(3,3-dimethylbutan-2-yl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N'-(3,3-dimethylbutan-2-yl)-N,N-dimethylethane-1,2-diamine
PubChem CID75382833
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-cyclopropyl-N'-(3,3-dimethylbutan-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCC(NCC(C1CC1)N(C)C)C(C)(C)C
InChIInChI=1S/C13H28N2/c1-10(13(2,3)4)14-9-12(15(5)6)11-7-8-11/h10-12,14H,7-9H2,1-6H3
InChIKeyMHYOZZSVDXYXMW-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N'-(3,3-dimethylbutan-2-yl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N'-(3,3-dimethylbutan-2-yl)-N,N-dimethylethane-1,2-diamine (CID 75382833) is 1-cyclopropyl-N'-(3,3-dimethylbutan-2-yl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N'-(3,3-dimethylbutan-2-yl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N'-(3,3-dimethylbutan-2-yl)-N,N-dimethylethane-1,2-diamine is CC(NCC(C1CC1)N(C)C)C(C)(C)C.
What is the InChIKey of 1-cyclopropyl-N'-(3,3-dimethylbutan-2-yl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is MHYOZZSVDXYXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-10(13(2,3)4)14-9-12(15(5)6)11-7-8-11/h10-12,14H,7-9H2,1-6H3.
What are the key properties of 1-cyclopropyl-N'-(3,3-dimethylbutan-2-yl)-N,N-dimethylethane-1,2-diamine?
1-cyclopropyl-N'-(3,3-dimethylbutan-2-yl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N'-(3,3-dimethylbutan-2-yl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 75382833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).