2,2-diethyl-N,N-bis(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine

C18H40N2 — CID 63495140

IUPAC2,2-diethyl-N,N-bis(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCCC(CC)(CNC(C)C)CN(CC(C)C)CC(C)C
InChIInChI=1S/C18H40N2/c1-9-18(10-2,13-19-17(7)8)14-20(11-15(3)4)12-16(5)6/h15-17,19H,9-14H2,1-8H3
InChIKeyOFJOXVQWYNQDKL-UHFFFAOYSA-N
MW284.53 g/mol
LogP4.40
Rot. Bonds11

About 2,2-diethyl-N,N-bis(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine

2,2-diethyl-N,N-bis(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 63495140) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is 2,2-diethyl-N,N-bis(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N,N-bis(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID63495140
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC Name2,2-diethyl-N,N-bis(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCCC(CC)(CNC(C)C)CN(CC(C)C)CC(C)C
InChIInChI=1S/C18H40N2/c1-9-18(10-2,13-19-17(7)8)14-20(11-15(3)4)12-16(5)6/h15-17,19H,9-14H2,1-8H3
InChIKeyOFJOXVQWYNQDKL-UHFFFAOYSA-N
XLogP4.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.53
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N,N-bis(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N,N-bis(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine (CID 63495140) is 2,2-diethyl-N,N-bis(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N,N-bis(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N,N-bis(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine is CCC(CC)(CNC(C)C)CN(CC(C)C)CC(C)C.
What is the InChIKey of 2,2-diethyl-N,N-bis(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is OFJOXVQWYNQDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2/c1-9-18(10-2,13-19-17(7)8)14-20(11-15(3)4)12-16(5)6/h15-17,19H,9-14H2,1-8H3.
What are the key properties of 2,2-diethyl-N,N-bis(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine?
2,2-diethyl-N,N-bis(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 284.53 g/mol, XLogP of 4.40, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N,N-bis(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 63495140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).