6-methoxy-N-(2-methylpropyl)-2-propan-2-ylhexan-1-amine

C14H31NO — CID 104649184

IUPAC6-methoxy-N-(2-methylpropyl)-2-propan-2-ylhexan-1-amine
SMILESCOCCCCC(CNCC(C)C)C(C)C
InChIInChI=1S/C14H31NO/c1-12(2)10-15-11-14(13(3)4)8-6-7-9-16-5/h12-15H,6-11H2,1-5H3
InChIKeyPJFNBRNXPPYHTP-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.32
Rot. Bonds10

About 6-methoxy-N-(2-methylpropyl)-2-propan-2-ylhexan-1-amine

6-methoxy-N-(2-methylpropyl)-2-propan-2-ylhexan-1-amine (PubChem CID 104649184) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 6-methoxy-N-(2-methylpropyl)-2-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name6-methoxy-N-(2-methylpropyl)-2-propan-2-ylhexan-1-amine
PubChem CID104649184
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name6-methoxy-N-(2-methylpropyl)-2-propan-2-ylhexan-1-amine
SMILESCOCCCCC(CNCC(C)C)C(C)C
InChIInChI=1S/C14H31NO/c1-12(2)10-15-11-14(13(3)4)8-6-7-9-16-5/h12-15H,6-11H2,1-5H3
InChIKeyPJFNBRNXPPYHTP-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
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-propan-2-yldodecan-1-amine
CID 63503515
3-methyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)butan-1-amine
CID 62530540
7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031
2-[2-(3-methoxypropoxy)ethyl]-3-methyl-N-propylbutan-1-amine
CID 103183296
2-(4-bromophenyl)-6-methoxy-N-(2-methylpropyl)hexan-1-amine
CID 104649474
N-(2-methylpropyl)-5-phenyl-2-propan-2-ylpentan-1-amine
CID 63523122
6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine
CID 103181280
3-(3-methoxypropoxy)-N-(2-methylpropyl)butan-1-amine
CID 115001737
2-N-(3-methoxypropyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63008851
6-methoxy-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 104649302
N-ethyl-2-propan-2-ylheptan-1-amine
CID 62529144
N-(2-methoxyethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62570429

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-methylpropyl)-2-propan-2-ylhexan-1-amine?
The IUPAC name of 6-methoxy-N-(2-methylpropyl)-2-propan-2-ylhexan-1-amine (CID 104649184) is 6-methoxy-N-(2-methylpropyl)-2-propan-2-ylhexan-1-amine.
What is the SMILES notation for 6-methoxy-N-(2-methylpropyl)-2-propan-2-ylhexan-1-amine?
The canonical SMILES for 6-methoxy-N-(2-methylpropyl)-2-propan-2-ylhexan-1-amine is COCCCCC(CNCC(C)C)C(C)C.
What is the InChIKey of 6-methoxy-N-(2-methylpropyl)-2-propan-2-ylhexan-1-amine?
The InChIKey is PJFNBRNXPPYHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-12(2)10-15-11-14(13(3)4)8-6-7-9-16-5/h12-15H,6-11H2,1-5H3.
What are the key properties of 6-methoxy-N-(2-methylpropyl)-2-propan-2-ylhexan-1-amine?
6-methoxy-N-(2-methylpropyl)-2-propan-2-ylhexan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-methylpropyl)-2-propan-2-ylhexan-1-amine is sourced from PubChem (CID 104649184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).