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

C14H31NO — CID 79197228

IUPAC2-methoxy-2,6,6-trimethyl-N-propylheptan-3-amine
SMILESCCCNC(CCC(C)(C)C)C(C)(C)OC
InChIInChI=1S/C14H31NO/c1-8-11-15-12(14(5,6)16-7)9-10-13(2,3)4/h12,15H,8-11H2,1-7H3
InChIKeyPNNKTHKOTKVVRV-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.61
Rot. Bonds7

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

2-methoxy-2,6,6-trimethyl-N-propylheptan-3-amine (PubChem CID 79197228) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-methoxy-2,6,6-trimethyl-N-propylheptan-3-amine.

Molecular Properties

Compound Name2-methoxy-2,6,6-trimethyl-N-propylheptan-3-amine
PubChem CID79197228
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name2-methoxy-2,6,6-trimethyl-N-propylheptan-3-amine
SMILESCCCNC(CCC(C)(C)C)C(C)(C)OC
InChIInChI=1S/C14H31NO/c1-8-11-15-12(14(5,6)16-7)9-10-13(2,3)4/h12,15H,8-11H2,1-7H3
InChIKeyPNNKTHKOTKVVRV-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-2,6,6-trimethyl-N-propylheptan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,6,6-trimethyl-N-propylheptan-3-amine?
The IUPAC name of 2-methoxy-2,6,6-trimethyl-N-propylheptan-3-amine (CID 79197228) is 2-methoxy-2,6,6-trimethyl-N-propylheptan-3-amine.
What is the SMILES notation for 2-methoxy-2,6,6-trimethyl-N-propylheptan-3-amine?
The canonical SMILES for 2-methoxy-2,6,6-trimethyl-N-propylheptan-3-amine is CCCNC(CCC(C)(C)C)C(C)(C)OC.
What is the InChIKey of 2-methoxy-2,6,6-trimethyl-N-propylheptan-3-amine?
The InChIKey is PNNKTHKOTKVVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-8-11-15-12(14(5,6)16-7)9-10-13(2,3)4/h12,15H,8-11H2,1-7H3.
What are the key properties of 2-methoxy-2,6,6-trimethyl-N-propylheptan-3-amine?
2-methoxy-2,6,6-trimethyl-N-propylheptan-3-amine has a molecular weight of 229.41 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,6,6-trimethyl-N-propylheptan-3-amine is sourced from PubChem (CID 79197228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).