6-methoxy-2-methyl-N,2-dipropylhexan-1-amine

C14H31NO — CID 104649332

IUPAC6-methoxy-2-methyl-N,2-dipropylhexan-1-amine
SMILESCCCNCC(C)(CCC)CCCCOC
InChIInChI=1S/C14H31NO/c1-5-9-14(3,13-15-11-6-2)10-7-8-12-16-4/h15H,5-13H2,1-4H3
InChIKeyPSPSPPFADHWQOK-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.61
Rot. Bonds11

About 6-methoxy-2-methyl-N,2-dipropylhexan-1-amine

6-methoxy-2-methyl-N,2-dipropylhexan-1-amine (PubChem CID 104649332) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N,2-dipropylhexan-1-amine.

Molecular Properties

Compound Name6-methoxy-2-methyl-N,2-dipropylhexan-1-amine
PubChem CID104649332
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name6-methoxy-2-methyl-N,2-dipropylhexan-1-amine
SMILESCCCNCC(C)(CCC)CCCCOC
InChIInChI=1S/C14H31NO/c1-5-9-14(3,13-15-11-6-2)10-7-8-12-16-4/h15H,5-13H2,1-4H3
InChIKeyPSPSPPFADHWQOK-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
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

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2,6-dimethyl-2-propylheptan-1-amine
CID 83168794
N-(2-methoxyethyl)-2,5,5-trimethyl-2-propylhexan-1-amine
CID 55196240
N-(6-methoxy-2-methyl-2-propylhexyl)cyclopropanamine
CID 104649334
6-methoxy-2-methyl-2-propylhexan-1-amine
CID 104649289
2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-propylbutan-1-amine
CID 104566584
N-(5-methoxy-2-methyl-2-propylpentyl)cyclopropanamine
CID 62723418
4-ethyl-N-(2-methoxyethyl)-2-methyl-2-propylhexan-1-amine
CID 82929981
N-ethyl-2-methyl-2-propylnonan-1-amine
CID 63509075
2-methyl-2-(2-methylsulfonylethyl)-N-propylpentan-1-amine
CID 62723813
2-benzyl-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 62726236
N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine
CID 103179208
1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol
CID 106292550

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-N,2-dipropylhexan-1-amine?
The IUPAC name of 6-methoxy-2-methyl-N,2-dipropylhexan-1-amine (CID 104649332) is 6-methoxy-2-methyl-N,2-dipropylhexan-1-amine.
What is the SMILES notation for 6-methoxy-2-methyl-N,2-dipropylhexan-1-amine?
The canonical SMILES for 6-methoxy-2-methyl-N,2-dipropylhexan-1-amine is CCCNCC(C)(CCC)CCCCOC.
What is the InChIKey of 6-methoxy-2-methyl-N,2-dipropylhexan-1-amine?
The InChIKey is PSPSPPFADHWQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-5-9-14(3,13-15-11-6-2)10-7-8-12-16-4/h15H,5-13H2,1-4H3.
What are the key properties of 6-methoxy-2-methyl-N,2-dipropylhexan-1-amine?
6-methoxy-2-methyl-N,2-dipropylhexan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.61, 11 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,2-dipropylhexan-1-amine is sourced from PubChem (CID 104649332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).