3,3,5,7,9,9-hexamethyl-6-propan-2-ylazecane

C18H37N — CID 174319212

IUPAC3,3,5,7,9,9-hexamethyl-6-propan-2-ylazecane
SMILESCC(C)C1C(C)CC(C)(C)CNCC(C)(C)CC1C
InChIInChI=1S/C18H37N/c1-13(2)16-14(3)9-17(5,6)11-19-12-18(7,8)10-15(16)4/h13-16,19H,9-12H2,1-8H3
InChIKeyBGNNGIPHDSDDMK-UHFFFAOYSA-N
MW267.50 g/mol
LogP4.97
Rot. Bonds1

About 3,3,5,7,9,9-hexamethyl-6-propan-2-ylazecane

3,3,5,7,9,9-hexamethyl-6-propan-2-ylazecane (PubChem CID 174319212) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 3,3,5,7,9,9-hexamethyl-6-propan-2-ylazecane.

Molecular Properties

Compound Name3,3,5,7,9,9-hexamethyl-6-propan-2-ylazecane
PubChem CID174319212
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name3,3,5,7,9,9-hexamethyl-6-propan-2-ylazecane
SMILESCC(C)C1C(C)CC(C)(C)CNCC(C)(C)CC1C
InChIInChI=1S/C18H37N/c1-13(2)16-14(3)9-17(5,6)11-19-12-18(7,8)10-15(16)4/h13-16,19H,9-12H2,1-8H3
InChIKeyBGNNGIPHDSDDMK-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.50
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,7,9,9-hexamethyl-6-propan-2-ylazecane?
The IUPAC name of 3,3,5,7,9,9-hexamethyl-6-propan-2-ylazecane (CID 174319212) is 3,3,5,7,9,9-hexamethyl-6-propan-2-ylazecane.
What is the SMILES notation for 3,3,5,7,9,9-hexamethyl-6-propan-2-ylazecane?
The canonical SMILES for 3,3,5,7,9,9-hexamethyl-6-propan-2-ylazecane is CC(C)C1C(C)CC(C)(C)CNCC(C)(C)CC1C.
What is the InChIKey of 3,3,5,7,9,9-hexamethyl-6-propan-2-ylazecane?
The InChIKey is BGNNGIPHDSDDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-13(2)16-14(3)9-17(5,6)11-19-12-18(7,8)10-15(16)4/h13-16,19H,9-12H2,1-8H3.
What are the key properties of 3,3,5,7,9,9-hexamethyl-6-propan-2-ylazecane?
3,3,5,7,9,9-hexamethyl-6-propan-2-ylazecane has a molecular weight of 267.50 g/mol, XLogP of 4.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,7,9,9-hexamethyl-6-propan-2-ylazecane is sourced from PubChem (CID 174319212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).