1,6-dimethoxy-3,6-dimethyl-N-propylheptan-4-amine

C14H31NO2 — CID 103029408

IUPAC1,6-dimethoxy-3,6-dimethyl-N-propylheptan-4-amine
SMILESCCCNC(CC(C)(C)OC)C(C)CCOC
InChIInChI=1S/C14H31NO2/c1-7-9-15-13(11-14(3,4)17-6)12(2)8-10-16-5/h12-13,15H,7-11H2,1-6H3
InChIKeyQEYICXAPXPLNJW-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.84
Rot. Bonds10

About 1,6-dimethoxy-3,6-dimethyl-N-propylheptan-4-amine

1,6-dimethoxy-3,6-dimethyl-N-propylheptan-4-amine (PubChem CID 103029408) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 1,6-dimethoxy-3,6-dimethyl-N-propylheptan-4-amine.

Molecular Properties

Compound Name1,6-dimethoxy-3,6-dimethyl-N-propylheptan-4-amine
PubChem CID103029408
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name1,6-dimethoxy-3,6-dimethyl-N-propylheptan-4-amine
SMILESCCCNC(CC(C)(C)OC)C(C)CCOC
InChIInChI=1S/C14H31NO2/c1-7-9-15-13(11-14(3,4)17-6)12(2)8-10-16-5/h12-13,15H,7-11H2,1-6H3
InChIKeyQEYICXAPXPLNJW-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethoxy-3,6-dimethyl-N-propylheptan-4-amine?
The IUPAC name of 1,6-dimethoxy-3,6-dimethyl-N-propylheptan-4-amine (CID 103029408) is 1,6-dimethoxy-3,6-dimethyl-N-propylheptan-4-amine.
What is the SMILES notation for 1,6-dimethoxy-3,6-dimethyl-N-propylheptan-4-amine?
The canonical SMILES for 1,6-dimethoxy-3,6-dimethyl-N-propylheptan-4-amine is CCCNC(CC(C)(C)OC)C(C)CCOC.
What is the InChIKey of 1,6-dimethoxy-3,6-dimethyl-N-propylheptan-4-amine?
The InChIKey is QEYICXAPXPLNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-7-9-15-13(11-14(3,4)17-6)12(2)8-10-16-5/h12-13,15H,7-11H2,1-6H3.
What are the key properties of 1,6-dimethoxy-3,6-dimethyl-N-propylheptan-4-amine?
1,6-dimethoxy-3,6-dimethyl-N-propylheptan-4-amine has a molecular weight of 245.41 g/mol, XLogP of 2.84, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethoxy-3,6-dimethyl-N-propylheptan-4-amine is sourced from PubChem (CID 103029408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).