6-methoxy-2,4,6-trimethyl-N-propylheptan-3-amine

C14H31NO — CID 79299498

IUPAC6-methoxy-2,4,6-trimethyl-N-propylheptan-3-amine
SMILESCCCNC(C(C)C)C(C)CC(C)(C)OC
InChIInChI=1S/C14H31NO/c1-8-9-15-13(11(2)3)12(4)10-14(5,6)16-7/h11-13,15H,8-10H2,1-7H3
InChIKeyWVCWOYZNVGMDRK-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.46
Rot. Bonds8

About 6-methoxy-2,4,6-trimethyl-N-propylheptan-3-amine

6-methoxy-2,4,6-trimethyl-N-propylheptan-3-amine (PubChem CID 79299498) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 6-methoxy-2,4,6-trimethyl-N-propylheptan-3-amine.

Molecular Properties

Compound Name6-methoxy-2,4,6-trimethyl-N-propylheptan-3-amine
PubChem CID79299498
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name6-methoxy-2,4,6-trimethyl-N-propylheptan-3-amine
SMILESCCCNC(C(C)C)C(C)CC(C)(C)OC
InChIInChI=1S/C14H31NO/c1-8-9-15-13(11(2)3)12(4)10-14(5,6)16-7/h11-13,15H,8-10H2,1-7H3
InChIKeyWVCWOYZNVGMDRK-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,4,6-trimethyl-N-propylheptan-3-amine?
The IUPAC name of 6-methoxy-2,4,6-trimethyl-N-propylheptan-3-amine (CID 79299498) is 6-methoxy-2,4,6-trimethyl-N-propylheptan-3-amine.
What is the SMILES notation for 6-methoxy-2,4,6-trimethyl-N-propylheptan-3-amine?
The canonical SMILES for 6-methoxy-2,4,6-trimethyl-N-propylheptan-3-amine is CCCNC(C(C)C)C(C)CC(C)(C)OC.
What is the InChIKey of 6-methoxy-2,4,6-trimethyl-N-propylheptan-3-amine?
The InChIKey is WVCWOYZNVGMDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-8-9-15-13(11(2)3)12(4)10-14(5,6)16-7/h11-13,15H,8-10H2,1-7H3.
What are the key properties of 6-methoxy-2,4,6-trimethyl-N-propylheptan-3-amine?
6-methoxy-2,4,6-trimethyl-N-propylheptan-3-amine has a molecular weight of 229.41 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,4,6-trimethyl-N-propylheptan-3-amine is sourced from PubChem (CID 79299498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).