6-methoxy-2-methyl-N-propylhexan-3-amine

C11H25NO — CID 60995727

IUPAC6-methoxy-2-methyl-N-propylhexan-3-amine
SMILESCCCNC(CCCOC)C(C)C
InChIInChI=1S/C11H25NO/c1-5-8-12-11(10(2)3)7-6-9-13-4/h10-12H,5-9H2,1-4H3
InChIKeyVNUINJQBLQNRPX-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.44
Rot. Bonds8

About 6-methoxy-2-methyl-N-propylhexan-3-amine

6-methoxy-2-methyl-N-propylhexan-3-amine (PubChem CID 60995727) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name6-methoxy-2-methyl-N-propylhexan-3-amine
PubChem CID60995727
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name6-methoxy-2-methyl-N-propylhexan-3-amine
SMILESCCCNC(CCCOC)C(C)C
InChIInChI=1S/C11H25NO/c1-5-8-12-11(10(2)3)7-6-9-13-4/h10-12H,5-9H2,1-4H3
InChIKeyVNUINJQBLQNRPX-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3R)-3-fluorobutan-2-yl]-2-methyl-1-(oxan-4-yl)propan-1-amine
CID 173964280
2-Methyl-4-Methylaminohexanol
CID 76589891
N,2-dimethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490817
N-ethyl-2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490818
2-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490819
4-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 62529713
N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 63560784
4-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 63561566
2-methyl-N-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-1-amine
CID 64663720
1-(2,2-difluoroethoxy)-N-ethyl-5-methylhexan-3-amine
CID 103149478
1-(2,2-difluoroethoxy)-5-methyl-N-propylhexan-3-amine
CID 103149799
1,1,1-trifluoro-6-methoxy-N,4-dimethyl-2-(trifluoromethyl)hexan-3-amine
CID 103312317

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-N-propylhexan-3-amine?
The IUPAC name of 6-methoxy-2-methyl-N-propylhexan-3-amine (CID 60995727) is 6-methoxy-2-methyl-N-propylhexan-3-amine.
What is the SMILES notation for 6-methoxy-2-methyl-N-propylhexan-3-amine?
The canonical SMILES for 6-methoxy-2-methyl-N-propylhexan-3-amine is CCCNC(CCCOC)C(C)C.
What is the InChIKey of 6-methoxy-2-methyl-N-propylhexan-3-amine?
The InChIKey is VNUINJQBLQNRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-8-12-11(10(2)3)7-6-9-13-4/h10-12H,5-9H2,1-4H3.
What are the key properties of 6-methoxy-2-methyl-N-propylhexan-3-amine?
6-methoxy-2-methyl-N-propylhexan-3-amine has a molecular weight of 187.33 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-N-propylhexan-3-amine is sourced from PubChem (CID 60995727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).