1-(4-tert-butylcyclohexyl)-N-[(2-methyloxolan-2-yl)methyl]ethane-1,2-diamine

C18H36N2O — CID 104575457

IUPAC1-(4-tert-butylcyclohexyl)-N-[(2-methyloxolan-2-yl)methyl]ethane-1,2-diamine
SMILESCC1(CNC(CN)C2CCC(C(C)(C)C)CC2)CCCO1
InChIInChI=1S/C18H36N2O/c1-17(2,3)15-8-6-14(7-9-15)16(12-19)20-13-18(4)10-5-11-21-18/h14-16,20H,5-13,19H2,1-4H3
InChIKeyGFBQTYXIOOZVIJ-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.32
Rot. Bonds5

About 1-(4-tert-butylcyclohexyl)-N-[(2-methyloxolan-2-yl)methyl]ethane-1,2-diamine

1-(4-tert-butylcyclohexyl)-N-[(2-methyloxolan-2-yl)methyl]ethane-1,2-diamine (PubChem CID 104575457) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-N-[(2-methyloxolan-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-N-[(2-methyloxolan-2-yl)methyl]ethane-1,2-diamine
PubChem CID104575457
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-(4-tert-butylcyclohexyl)-N-[(2-methyloxolan-2-yl)methyl]ethane-1,2-diamine
SMILESCC1(CNC(CN)C2CCC(C(C)(C)C)CC2)CCCO1
InChIInChI=1S/C18H36N2O/c1-17(2,3)15-8-6-14(7-9-15)16(12-19)20-13-18(4)10-5-11-21-18/h14-16,20H,5-13,19H2,1-4H3
InChIKeyGFBQTYXIOOZVIJ-UHFFFAOYSA-N
XLogP3.32
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-N-[(2-methyloxolan-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-N-[(2-methyloxolan-2-yl)methyl]ethane-1,2-diamine (CID 104575457) is 1-(4-tert-butylcyclohexyl)-N-[(2-methyloxolan-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-N-[(2-methyloxolan-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-N-[(2-methyloxolan-2-yl)methyl]ethane-1,2-diamine is CC1(CNC(CN)C2CCC(C(C)(C)C)CC2)CCCO1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-N-[(2-methyloxolan-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is GFBQTYXIOOZVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-17(2,3)15-8-6-14(7-9-15)16(12-19)20-13-18(4)10-5-11-21-18/h14-16,20H,5-13,19H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-N-[(2-methyloxolan-2-yl)methyl]ethane-1,2-diamine?
1-(4-tert-butylcyclohexyl)-N-[(2-methyloxolan-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 296.50 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-N-[(2-methyloxolan-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 104575457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).