N-(3-methoxypropyl)-2,2,4,4-tetramethylhexan-1-amine

C14H31NO — CID 167228340

IUPACN-(3-methoxypropyl)-2,2,4,4-tetramethylhexan-1-amine
SMILESCCC(C)(C)CC(C)(C)CNCCCOC
InChIInChI=1S/C14H31NO/c1-7-13(2,3)11-14(4,5)12-15-9-8-10-16-6/h15H,7-12H2,1-6H3
InChIKeyRSAABLCUQHPAHS-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.46
Rot. Bonds9

About N-(3-methoxypropyl)-2,2,4,4-tetramethylhexan-1-amine

N-(3-methoxypropyl)-2,2,4,4-tetramethylhexan-1-amine (PubChem CID 167228340) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2,2,4,4-tetramethylhexan-1-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2,2,4,4-tetramethylhexan-1-amine
PubChem CID167228340
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC NameN-(3-methoxypropyl)-2,2,4,4-tetramethylhexan-1-amine
SMILESCCC(C)(C)CC(C)(C)CNCCCOC
InChIInChI=1S/C14H31NO/c1-7-13(2,3)11-14(4,5)12-15-9-8-10-16-6/h15H,7-12H2,1-6H3
InChIKeyRSAABLCUQHPAHS-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.46
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

4-Methoxy-3,3-dimethylpiperidine
CID 89396674
N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4,4-dimethylpentan-1-amine
CID 153306615
N-(3-methoxy-3-methylbutyl)-2,2-dimethylheptan-1-amine
CID 103033452
N-[(1-methylcyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 63821866
N-[(1-propylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 114099998
N-[(1-ethylcyclobutyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 114108000
[(1-Fluorocyclohexyl)methyl](3-methoxypropyl)amine
CID 126847930
[(1-Fluorocyclopentyl)methyl](3-methoxypropyl)amine
CID 126847977
(3-Ethoxypropyl)[(1-fluorocyclopentyl)methyl]amine
CID 126847982
(Cyclohexylmethyl)(3-methoxypropyl)amine
CID 17207140
N-(ethenoxymethyl)-4,4-dimethylhexan-1-amine
CID 20811205
N-(3-Methoxypropyl)-1-hexanamine
CID 28309044

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2,2,4,4-tetramethylhexan-1-amine?
The IUPAC name of N-(3-methoxypropyl)-2,2,4,4-tetramethylhexan-1-amine (CID 167228340) is N-(3-methoxypropyl)-2,2,4,4-tetramethylhexan-1-amine.
What is the SMILES notation for N-(3-methoxypropyl)-2,2,4,4-tetramethylhexan-1-amine?
The canonical SMILES for N-(3-methoxypropyl)-2,2,4,4-tetramethylhexan-1-amine is CCC(C)(C)CC(C)(C)CNCCCOC.
What is the InChIKey of N-(3-methoxypropyl)-2,2,4,4-tetramethylhexan-1-amine?
The InChIKey is RSAABLCUQHPAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-7-13(2,3)11-14(4,5)12-15-9-8-10-16-6/h15H,7-12H2,1-6H3.
What are the key properties of N-(3-methoxypropyl)-2,2,4,4-tetramethylhexan-1-amine?
N-(3-methoxypropyl)-2,2,4,4-tetramethylhexan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2,2,4,4-tetramethylhexan-1-amine is sourced from PubChem (CID 167228340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).