3-ethyl-2-N-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine

C16H36N2 — CID 79484103

IUPAC3-ethyl-2-N-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine
SMILESCCC(CC)C(CN)N(CC(C)C)C(CC)CC
InChIInChI=1S/C16H36N2/c1-7-14(8-2)16(11-17)18(12-13(5)6)15(9-3)10-4/h13-16H,7-12,17H2,1-6H3
InChIKeySMIQCRQXXOOJNX-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.90
Rot. Bonds10

About 3-ethyl-2-N-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine

3-ethyl-2-N-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine (PubChem CID 79484103) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 3-ethyl-2-N-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-2-N-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine
PubChem CID79484103
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name3-ethyl-2-N-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine
SMILESCCC(CC)C(CN)N(CC(C)C)C(CC)CC
InChIInChI=1S/C16H36N2/c1-7-14(8-2)16(11-17)18(12-13(5)6)15(9-3)10-4/h13-16H,7-12,17H2,1-6H3
InChIKeySMIQCRQXXOOJNX-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine?
The IUPAC name of 3-ethyl-2-N-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine (CID 79484103) is 3-ethyl-2-N-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-2-N-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine?
The canonical SMILES for 3-ethyl-2-N-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine is CCC(CC)C(CN)N(CC(C)C)C(CC)CC.
What is the InChIKey of 3-ethyl-2-N-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine?
The InChIKey is SMIQCRQXXOOJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-7-14(8-2)16(11-17)18(12-13(5)6)15(9-3)10-4/h13-16H,7-12,17H2,1-6H3.
What are the key properties of 3-ethyl-2-N-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine?
3-ethyl-2-N-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine is sourced from PubChem (CID 79484103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).