N-(cyclobutylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine

C17H36N2 — CID 55195024

IUPACN-(cyclobutylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCC(CC)(CNCC(C)C)CN(C)CC1CCC1
InChIInChI=1S/C17H36N2/c1-6-17(7-2,13-18-11-15(3)4)14-19(5)12-16-9-8-10-16/h15-16,18H,6-14H2,1-5H3
InChIKeyUSBYBISRMTXPQZ-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.77
Rot. Bonds10

About N-(cyclobutylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine

N-(cyclobutylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 55195024) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID55195024
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-(cyclobutylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCC(CC)(CNCC(C)C)CN(C)CC1CCC1
InChIInChI=1S/C17H36N2/c1-6-17(7-2,13-18-11-15(3)4)14-19(5)12-16-9-8-10-16/h15-16,18H,6-14H2,1-5H3
InChIKeyUSBYBISRMTXPQZ-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62257932
2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 62261307
1-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-methylamino]-2-methylpropan-2-ol
CID 79377983
N,2,2-triethyl-N'-methyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
CID 63713223
2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 62262271
N'-(cyclobutylmethyl)-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 62854578
2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63655708
2,2-diethyl-N,N'-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine
CID 55175585
N-[[1-[[cyclobutylmethyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 62860855
1-N-(cyclobutylmethyl)-2-ethyl-1-N-methylbutane-1,2-diamine
CID 79813469
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine
CID 63234674
N-(cyclopropylmethyl)-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63956910

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N-(cyclobutylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 55195024) is N-(cyclobutylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-(cyclobutylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N-(cyclobutylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine is CCC(CC)(CNCC(C)C)CN(C)CC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is USBYBISRMTXPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-17(7-2,13-18-11-15(3)4)14-19(5)12-16-9-8-10-16/h15-16,18H,6-14H2,1-5H3.
What are the key properties of N-(cyclobutylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
N-(cyclobutylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 268.49 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-(cyclobutylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 55195024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).