N-(4-tert-butylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C17H36N2O — CID 65089404

IUPACN-(4-tert-butylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNC1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2O/c1-17(2,3)15-7-6-8-16(10-9-15)18-11-12-19(4)13-14-20-5/h15-16,18H,6-14H2,1-5H3
InChIKeyRSJQRKPWHLFOPQ-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.15
Rot. Bonds7

About N-(4-tert-butylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N-(4-tert-butylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 65089404) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is N-(4-tert-butylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-tert-butylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID65089404
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC NameN-(4-tert-butylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNC1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2O/c1-17(2,3)15-7-6-8-16(10-9-15)18-11-12-19(4)13-14-20-5/h15-16,18H,6-14H2,1-5H3
InChIKeyRSJQRKPWHLFOPQ-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(4-tert-butylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 65089404) is N-(4-tert-butylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(4-tert-butylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(4-tert-butylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCN(C)CCNC1CCCC(C(C)(C)C)CC1.
What is the InChIKey of N-(4-tert-butylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is RSJQRKPWHLFOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-17(2,3)15-7-6-8-16(10-9-15)18-11-12-19(4)13-14-20-5/h15-16,18H,6-14H2,1-5H3.
What are the key properties of N-(4-tert-butylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N-(4-tert-butylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 284.49 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 65089404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).