6-methoxy-2-methylhexan-1-amine

C8H19NO — CID 64666005

IUPAC6-methoxy-2-methylhexan-1-amine
SMILESCOCCCCC(C)CN
InChIInChI=1S/C8H19NO/c1-8(7-9)5-3-4-6-10-2/h8H,3-7,9H2,1-2H3
InChIKeyBFHJRPBJZRQOSK-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.40
Rot. Bonds6

About 6-methoxy-2-methylhexan-1-amine

6-methoxy-2-methylhexan-1-amine (PubChem CID 64666005) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 6-methoxy-2-methylhexan-1-amine.

Molecular Properties

Compound Name6-methoxy-2-methylhexan-1-amine
PubChem CID64666005
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name6-methoxy-2-methylhexan-1-amine
SMILESCOCCCCC(C)CN
InChIInChI=1S/C8H19NO/c1-8(7-9)5-3-4-6-10-2/h8H,3-7,9H2,1-2H3
InChIKeyBFHJRPBJZRQOSK-UHFFFAOYSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.40
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

1,11-dimethoxy-2-methylundecane
CID 118982395
N',N'-bis(2-methoxyethyl)-2-methylpentane-1,5-diamine
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1-methoxy-8,14,20-trimethylnonacosane
CID 155293079
N'-(2-methoxyethylsulfamoyl)-2-methylpentane-1,5-diamine
CID 106154148
(15-amino-14-methylpentadecyl) tritetradecyl silicate
CID 175996343
2-methyltricosan-1-amine
CID 87547792
2-methylnonan-1-amine
CID 21396878
2-methyloctadecan-1-amine
CID 56980469
7-methoxy-2-methyl-N-propan-2-ylheptan-1-amine
CID 104650066
8-methoxy-2-methyloctan-3-amine
CID 64504624
(2S)-2,6-dimethylheptan-1-amine
CID 13329794
methyl (6S)-7-amino-6-methylheptanoate
CID 163456420

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methylhexan-1-amine?
The IUPAC name of 6-methoxy-2-methylhexan-1-amine (CID 64666005) is 6-methoxy-2-methylhexan-1-amine.
What is the SMILES notation for 6-methoxy-2-methylhexan-1-amine?
The canonical SMILES for 6-methoxy-2-methylhexan-1-amine is COCCCCC(C)CN.
What is the InChIKey of 6-methoxy-2-methylhexan-1-amine?
The InChIKey is BFHJRPBJZRQOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-8(7-9)5-3-4-6-10-2/h8H,3-7,9H2,1-2H3.
What are the key properties of 6-methoxy-2-methylhexan-1-amine?
6-methoxy-2-methylhexan-1-amine has a molecular weight of 145.25 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methylhexan-1-amine is sourced from PubChem (CID 64666005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).