N,N,2,3,5-pentamethyl-6-propan-2-yloxan-4-amine

C13H27NO — CID 20675639

IUPACN,N,2,3,5-pentamethyl-6-propan-2-yloxan-4-amine
SMILESCC(C)C1OC(C)C(C)C(N(C)C)C1C
InChIInChI=1S/C13H27NO/c1-8(2)13-10(4)12(14(6)7)9(3)11(5)15-13/h8-13H,1-7H3
InChIKeyKKJUURAGQVJLNR-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.63
Rot. Bonds2

About N,N,2,3,5-pentamethyl-6-propan-2-yloxan-4-amine

N,N,2,3,5-pentamethyl-6-propan-2-yloxan-4-amine (PubChem CID 20675639) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N,N,2,3,5-pentamethyl-6-propan-2-yloxan-4-amine.

Molecular Properties

Compound NameN,N,2,3,5-pentamethyl-6-propan-2-yloxan-4-amine
PubChem CID20675639
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN,N,2,3,5-pentamethyl-6-propan-2-yloxan-4-amine
SMILESCC(C)C1OC(C)C(C)C(N(C)C)C1C
InChIInChI=1S/C13H27NO/c1-8(2)13-10(4)12(14(6)7)9(3)11(5)15-13/h8-13H,1-7H3
InChIKeyKKJUURAGQVJLNR-UHFFFAOYSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,2,3,5-pentamethyl-6-propan-2-yloxan-4-amine?
The IUPAC name of N,N,2,3,5-pentamethyl-6-propan-2-yloxan-4-amine (CID 20675639) is N,N,2,3,5-pentamethyl-6-propan-2-yloxan-4-amine.
What is the SMILES notation for N,N,2,3,5-pentamethyl-6-propan-2-yloxan-4-amine?
The canonical SMILES for N,N,2,3,5-pentamethyl-6-propan-2-yloxan-4-amine is CC(C)C1OC(C)C(C)C(N(C)C)C1C.
What is the InChIKey of N,N,2,3,5-pentamethyl-6-propan-2-yloxan-4-amine?
The InChIKey is KKJUURAGQVJLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-8(2)13-10(4)12(14(6)7)9(3)11(5)15-13/h8-13H,1-7H3.
What are the key properties of N,N,2,3,5-pentamethyl-6-propan-2-yloxan-4-amine?
N,N,2,3,5-pentamethyl-6-propan-2-yloxan-4-amine has a molecular weight of 213.36 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,3,5-pentamethyl-6-propan-2-yloxan-4-amine is sourced from PubChem (CID 20675639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).