N-tert-butyl-N'-cyclopentyl-2,2-diethyl-N'-methylpropane-1,3-diamine

C17H36N2 — CID 62263106

IUPACN-tert-butyl-N'-cyclopentyl-2,2-diethyl-N'-methylpropane-1,3-diamine
SMILESCCC(CC)(CNC(C)(C)C)CN(C)C1CCCC1
InChIInChI=1S/C17H36N2/c1-7-17(8-2,13-18-16(3,4)5)14-19(6)15-11-9-10-12-15/h15,18H,7-14H2,1-6H3
InChIKeyVRZXDYAPVIKEOI-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds7

About N-tert-butyl-N'-cyclopentyl-2,2-diethyl-N'-methylpropane-1,3-diamine

N-tert-butyl-N'-cyclopentyl-2,2-diethyl-N'-methylpropane-1,3-diamine (PubChem CID 62263106) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-tert-butyl-N'-cyclopentyl-2,2-diethyl-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-cyclopentyl-2,2-diethyl-N'-methylpropane-1,3-diamine
PubChem CID62263106
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-tert-butyl-N'-cyclopentyl-2,2-diethyl-N'-methylpropane-1,3-diamine
SMILESCCC(CC)(CNC(C)(C)C)CN(C)C1CCCC1
InChIInChI=1S/C17H36N2/c1-7-17(8-2,13-18-16(3,4)5)14-19(6)15-11-9-10-12-15/h15,18H,7-14H2,1-6H3
InChIKeyVRZXDYAPVIKEOI-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 63494862
N-tert-butyl-2,2-diethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 62263050
N-cyclohexyl-N'-cyclopropyl-2,2-diethyl-N-methylpropane-1,3-diamine
CID 62263046
N-cyclohexyl-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine
CID 55195594
2,2-diethyl-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62260372
N-tert-butyl-N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine
CID 63495721
N-tert-butyl-N'-cycloheptyl-N'-methylethane-1,2-diamine
CID 61387284
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 63494489
N-tert-butyl-N',2,2-trimethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine
CID 62258323
N-cyclopropyl-2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine
CID 63494314
N-cycloheptyl-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
CID 62257203
N-cyclohexyl-N'-cyclopropyl-N,2,2-trimethylpropane-1,3-diamine
CID 62262681

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-cyclopentyl-2,2-diethyl-N'-methylpropane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-cyclopentyl-2,2-diethyl-N'-methylpropane-1,3-diamine (CID 62263106) is N-tert-butyl-N'-cyclopentyl-2,2-diethyl-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-cyclopentyl-2,2-diethyl-N'-methylpropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-cyclopentyl-2,2-diethyl-N'-methylpropane-1,3-diamine is CCC(CC)(CNC(C)(C)C)CN(C)C1CCCC1.
What is the InChIKey of N-tert-butyl-N'-cyclopentyl-2,2-diethyl-N'-methylpropane-1,3-diamine?
The InChIKey is VRZXDYAPVIKEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-17(8-2,13-18-16(3,4)5)14-19(6)15-11-9-10-12-15/h15,18H,7-14H2,1-6H3.
What are the key properties of N-tert-butyl-N'-cyclopentyl-2,2-diethyl-N'-methylpropane-1,3-diamine?
N-tert-butyl-N'-cyclopentyl-2,2-diethyl-N'-methylpropane-1,3-diamine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-cyclopentyl-2,2-diethyl-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 62263106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).