2,2-diethyl-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

C11H26N2 — CID 62264308

IUPAC2,2-diethyl-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCC(CC)(CN)CN(C)C(C)C
InChIInChI=1S/C11H26N2/c1-6-11(7-2,8-12)9-13(5)10(3)4/h10H,6-9,12H2,1-5H3
InChIKeyMHHHANKYJZAKAD-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.09
Rot. Bonds6

About 2,2-diethyl-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

2,2-diethyl-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 62264308) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 2,2-diethyl-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID62264308
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name2,2-diethyl-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCC(CC)(CN)CN(C)C(C)C
InChIInChI=1S/C11H26N2/c1-6-11(7-2,8-12)9-13(5)10(3)4/h10H,6-9,12H2,1-5H3
InChIKeyMHHHANKYJZAKAD-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112661269
2,2-diethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine
CID 62257958
2-ethyl-1-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 79814972
2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 62262271
2,2-diethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 63965862
2,2-diethylbutan-1-amine;hydrochloride
CID 71756050
3-(aminomethyl)-6-[methyl(propan-2-yl)amino]hexan-3-ol
CID 106811374
N,2,2-trimethyl-N-propan-2-ylpropan-1-amine
CID 23588538
2-ethyl-N,N',2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62263389
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2-ethylbutan-1-ol
CID 62272431
N'-butyl-N',2,2-triethylpropane-1,3-diamine
CID 62262666
2,2-diethyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 62260800

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (CID 62264308) is 2,2-diethyl-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is CCC(CC)(CN)CN(C)C(C)C.
What is the InChIKey of 2,2-diethyl-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is MHHHANKYJZAKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-6-11(7-2,8-12)9-13(5)10(3)4/h10H,6-9,12H2,1-5H3.
What are the key properties of 2,2-diethyl-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
2,2-diethyl-N'-methyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62264308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).