5-methoxy-5-methyl-N,2-dipropylhexan-1-amine

C14H31NO — CID 103036662

IUPAC5-methoxy-5-methyl-N,2-dipropylhexan-1-amine
SMILESCCCNCC(CCC)CCC(C)(C)OC
InChIInChI=1S/C14H31NO/c1-6-8-13(12-15-11-7-2)9-10-14(3,4)16-5/h13,15H,6-12H2,1-5H3
InChIKeyMENGOUZSJQDYPB-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.61
Rot. Bonds10

About 5-methoxy-5-methyl-N,2-dipropylhexan-1-amine

5-methoxy-5-methyl-N,2-dipropylhexan-1-amine (PubChem CID 103036662) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 5-methoxy-5-methyl-N,2-dipropylhexan-1-amine.

Molecular Properties

Compound Name5-methoxy-5-methyl-N,2-dipropylhexan-1-amine
PubChem CID103036662
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name5-methoxy-5-methyl-N,2-dipropylhexan-1-amine
SMILESCCCNCC(CCC)CCC(C)(C)OC
InChIInChI=1S/C14H31NO/c1-6-8-13(12-15-11-7-2)9-10-14(3,4)16-5/h13,15H,6-12H2,1-5H3
InChIKeyMENGOUZSJQDYPB-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
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-dipropylpentan-1-amine
CID 62530512
5-methoxy-5-methyl-2-propylhexan-1-amine
CID 103036614
5-methyl-N,2-dipropylhexan-1-amine
CID 63497105
N,2-dipropyloctan-1-amine
CID 63497286
3-methoxy-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine
CID 103033354
7-methoxy-N,7-dimethyloctan-4-amine
CID 103031355
5,5-dimethyl-2-(2-methylpropyl)-N-propylhexan-1-amine
CID 63496033
2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine
CID 103032439
2-methoxy-2-methyl-N-propylpropan-1-amine
CID 62352630
4-ethyl-N,2-dipropylhexan-1-amine
CID 82930255
5-methoxy-N-(2-methoxyethyl)-2,5-dimethylhexan-1-amine
CID 103036807
5-(bromomethyl)-2-methoxy-2-methylheptane
CID 103018464

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-methyl-N,2-dipropylhexan-1-amine?
The IUPAC name of 5-methoxy-5-methyl-N,2-dipropylhexan-1-amine (CID 103036662) is 5-methoxy-5-methyl-N,2-dipropylhexan-1-amine.
What is the SMILES notation for 5-methoxy-5-methyl-N,2-dipropylhexan-1-amine?
The canonical SMILES for 5-methoxy-5-methyl-N,2-dipropylhexan-1-amine is CCCNCC(CCC)CCC(C)(C)OC.
What is the InChIKey of 5-methoxy-5-methyl-N,2-dipropylhexan-1-amine?
The InChIKey is MENGOUZSJQDYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-6-8-13(12-15-11-7-2)9-10-14(3,4)16-5/h13,15H,6-12H2,1-5H3.
What are the key properties of 5-methoxy-5-methyl-N,2-dipropylhexan-1-amine?
5-methoxy-5-methyl-N,2-dipropylhexan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methyl-N,2-dipropylhexan-1-amine is sourced from PubChem (CID 103036662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).