2-N-cyclopropyl-1-N,2-N-diethylpentane-1,2-diamine

C12H26N2 — CID 83054723

IUPAC2-N-cyclopropyl-1-N,2-N-diethylpentane-1,2-diamine
SMILESCCCC(CNCC)N(CC)C1CC1
InChIInChI=1S/C12H26N2/c1-4-7-12(10-13-5-2)14(6-3)11-8-9-11/h11-13H,4-10H2,1-3H3
InChIKeySTYUDVRFMVFWBU-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds8

About 2-N-cyclopropyl-1-N,2-N-diethylpentane-1,2-diamine

2-N-cyclopropyl-1-N,2-N-diethylpentane-1,2-diamine (PubChem CID 83054723) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-N,2-N-diethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-1-N,2-N-diethylpentane-1,2-diamine
PubChem CID83054723
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-N-cyclopropyl-1-N,2-N-diethylpentane-1,2-diamine
SMILESCCCC(CNCC)N(CC)C1CC1
InChIInChI=1S/C12H26N2/c1-4-7-12(10-13-5-2)14(6-3)11-8-9-11/h11-13H,4-10H2,1-3H3
InChIKeySTYUDVRFMVFWBU-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-N,2-N-diethylpentane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-1-N,2-N-diethylpentane-1,2-diamine (CID 83054723) is 2-N-cyclopropyl-1-N,2-N-diethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-1-N,2-N-diethylpentane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-1-N,2-N-diethylpentane-1,2-diamine is CCCC(CNCC)N(CC)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-1-N,2-N-diethylpentane-1,2-diamine?
The InChIKey is STYUDVRFMVFWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-7-12(10-13-5-2)14(6-3)11-8-9-11/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-N-cyclopropyl-1-N,2-N-diethylpentane-1,2-diamine?
2-N-cyclopropyl-1-N,2-N-diethylpentane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1-N,2-N-diethylpentane-1,2-diamine is sourced from PubChem (CID 83054723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).