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

C16H36N2 — CID 79480297

IUPACN,2-diethyl-2-methyl-N-(2-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCCC(C)CN(CC)CC(C)(CC)CNC(C)C
InChIInChI=1S/C16H36N2/c1-8-15(6)11-18(10-3)13-16(7,9-2)12-17-14(4)5/h14-15,17H,8-13H2,1-7H3
InChIKeySPNFBSDUUVZQIZ-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.77
Rot. Bonds10

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

N,2-diethyl-2-methyl-N-(2-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 79480297) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is N,2-diethyl-2-methyl-N-(2-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN,2-diethyl-2-methyl-N-(2-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID79480297
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC NameN,2-diethyl-2-methyl-N-(2-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCCC(C)CN(CC)CC(C)(CC)CNC(C)C
InChIInChI=1S/C16H36N2/c1-8-15(6)11-18(10-3)13-16(7,9-2)12-17-14(4)5/h14-15,17H,8-13H2,1-7H3
InChIKeySPNFBSDUUVZQIZ-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
CID 107871143
N,2-diethyl-N-(2-ethylbutyl)-N',2-dimethylpropane-1,3-diamine
CID 62259060
1-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-2-ol
CID 62337164
N,2-diethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62255893
N-cyclopropyl-2-ethyl-2-methyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62258875
N-ethyl-2-methyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62426258
4-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]butan-2-ol
CID 113499938
N',2-diethyl-N'-(2-ethylbutyl)-2-methylpropane-1,3-diamine
CID 62261128
N,N,2-triethyl-2-methylbutan-1-amine
CID 130442149
N-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 63690537
N,N-dibutyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 63483431
N-[2,2-dimethyl-3-(propan-2-ylamino)propyl]-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 138745530

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-2-methyl-N-(2-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N,2-diethyl-2-methyl-N-(2-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine (CID 79480297) is N,2-diethyl-2-methyl-N-(2-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N,2-diethyl-2-methyl-N-(2-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N,2-diethyl-2-methyl-N-(2-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine is CCC(C)CN(CC)CC(C)(CC)CNC(C)C.
What is the InChIKey of N,2-diethyl-2-methyl-N-(2-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is SPNFBSDUUVZQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-8-15(6)11-18(10-3)13-16(7,9-2)12-17-14(4)5/h14-15,17H,8-13H2,1-7H3.
What are the key properties of N,2-diethyl-2-methyl-N-(2-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine?
N,2-diethyl-2-methyl-N-(2-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-2-methyl-N-(2-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 79480297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).