2-N-ethyl-1-N-methyl-1-N-pentan-2-ylbutane-1,2-diamine

C12H28N2 — CID 62039695

IUPAC2-N-ethyl-1-N-methyl-1-N-pentan-2-ylbutane-1,2-diamine
SMILESCCCC(C)N(C)CC(CC)NCC
InChIInChI=1S/C12H28N2/c1-6-9-11(4)14(5)10-12(7-2)13-8-3/h11-13H,6-10H2,1-5H3
InChIKeyWUCLEWRVVAMAMB-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.49
Rot. Bonds8

About 2-N-ethyl-1-N-methyl-1-N-pentan-2-ylbutane-1,2-diamine

2-N-ethyl-1-N-methyl-1-N-pentan-2-ylbutane-1,2-diamine (PubChem CID 62039695) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-N-ethyl-1-N-methyl-1-N-pentan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N-methyl-1-N-pentan-2-ylbutane-1,2-diamine
PubChem CID62039695
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name2-N-ethyl-1-N-methyl-1-N-pentan-2-ylbutane-1,2-diamine
SMILESCCCC(C)N(C)CC(CC)NCC
InChIInChI=1S/C12H28N2/c1-6-9-11(4)14(5)10-12(7-2)13-8-3/h11-13H,6-10H2,1-5H3
InChIKeyWUCLEWRVVAMAMB-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N-methyl-1-N-pentan-2-ylbutane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N-methyl-1-N-pentan-2-ylbutane-1,2-diamine (CID 62039695) is 2-N-ethyl-1-N-methyl-1-N-pentan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N-methyl-1-N-pentan-2-ylbutane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N-methyl-1-N-pentan-2-ylbutane-1,2-diamine is CCCC(C)N(C)CC(CC)NCC.
What is the InChIKey of 2-N-ethyl-1-N-methyl-1-N-pentan-2-ylbutane-1,2-diamine?
The InChIKey is WUCLEWRVVAMAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-6-9-11(4)14(5)10-12(7-2)13-8-3/h11-13H,6-10H2,1-5H3.
What are the key properties of 2-N-ethyl-1-N-methyl-1-N-pentan-2-ylbutane-1,2-diamine?
2-N-ethyl-1-N-methyl-1-N-pentan-2-ylbutane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N-methyl-1-N-pentan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 62039695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).