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

C16H36N2 — CID 62260356

IUPACN-(2,2-dimethylpropyl)-2,2-diethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCC(CC)(CNC(C)C)CN(C)CC(C)(C)C
InChIInChI=1S/C16H36N2/c1-9-16(10-2,11-17-14(3)4)13-18(8)12-15(5,6)7/h14,17H,9-13H2,1-8H3
InChIKeySJHBTSXUTMXWBN-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.77
Rot. Bonds8

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

N-(2,2-dimethylpropyl)-2,2-diethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 62260356) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2,2-diethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2,2-diethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID62260356
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC NameN-(2,2-dimethylpropyl)-2,2-diethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCC(CC)(CNC(C)C)CN(C)CC(C)(C)C
InChIInChI=1S/C16H36N2/c1-9-16(10-2,11-17-14(3)4)13-18(8)12-15(5,6)7/h14,17H,9-13H2,1-8H3
InChIKeySJHBTSXUTMXWBN-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

2,2-diethyl-N,N-bis(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 63495140
2,2-diethyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 62257493
N-(2,2-dimethylpropyl)-N,2-dimethyl-2-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62260878
1-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-methylamino]-2-methylpropan-2-ol
CID 79377983
N-(2,2-dimethylpropyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62462801
2-[[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]-pentan-3-ylamino]ethanol
CID 62260681
N-cyclopropyl-2,2-diethyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62260593
N,2,2-triethyl-N'-methyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 55056500
1-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-2-ol
CID 62337164
1-[ethyl(methyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66335154
N,2,2-trimethyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62257913
2,2-diethyl-N-propan-2-ylnonan-1-amine
CID 63508452

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2,2-diethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-(2,2-dimethylpropyl)-2,2-diethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine (CID 62260356) is N-(2,2-dimethylpropyl)-2,2-diethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2,2-diethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-(2,2-dimethylpropyl)-2,2-diethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine is CCC(CC)(CNC(C)C)CN(C)CC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-2,2-diethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is SJHBTSXUTMXWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-9-16(10-2,11-17-14(3)4)13-18(8)12-15(5,6)7/h14,17H,9-13H2,1-8H3.
What are the key properties of N-(2,2-dimethylpropyl)-2,2-diethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine?
N-(2,2-dimethylpropyl)-2,2-diethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2,2-diethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62260356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).