2-[2-(3-methoxypropoxy)ethyl]-N-propan-2-ylpentan-1-amine

C14H31NO2 — CID 103183286

IUPAC2-[2-(3-methoxypropoxy)ethyl]-N-propan-2-ylpentan-1-amine
SMILESCCCC(CCOCCCOC)CNC(C)C
InChIInChI=1S/C14H31NO2/c1-5-7-14(12-15-13(2)3)8-11-17-10-6-9-16-4/h13-15H,5-12H2,1-4H3
InChIKeyAUKXRNGZQRGCLM-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.84
Rot. Bonds12

About 2-[2-(3-methoxypropoxy)ethyl]-N-propan-2-ylpentan-1-amine

2-[2-(3-methoxypropoxy)ethyl]-N-propan-2-ylpentan-1-amine (PubChem CID 103183286) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-[2-(3-methoxypropoxy)ethyl]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-[2-(3-methoxypropoxy)ethyl]-N-propan-2-ylpentan-1-amine
PubChem CID103183286
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name2-[2-(3-methoxypropoxy)ethyl]-N-propan-2-ylpentan-1-amine
SMILESCCCC(CCOCCCOC)CNC(C)C
InChIInChI=1S/C14H31NO2/c1-5-7-14(12-15-13(2)3)8-11-17-10-6-9-16-4/h13-15H,5-12H2,1-4H3
InChIKeyAUKXRNGZQRGCLM-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine
CID 62529731
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(2-methylpropyl)pentan-1-amine
CID 104566397
N-propan-2-yl-2-propylheptan-1-amine
CID 62529127
1-(3-methoxypropoxy)-3-methylbutane
CID 18925853
2-(2-methoxyethyl)-4-methyl-N-propan-2-ylpentan-1-amine
CID 62528511
7-methoxy-2-methyl-N-propan-2-ylheptan-1-amine
CID 104650066
N-ethyl-5-(3-methoxypropoxy)-3-methylpentan-2-amine
CID 103181104
3-[(propan-2-ylamino)methyl]hexan-1-ol
CID 103921662
2-[2-(3-methoxypropoxy)ethyl]propane-1,3-diol
CID 103185077
2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propan-2-ylbutan-1-amine
CID 103183680
N-[2-(3-methoxypropoxy)ethyl]hexan-2-amine
CID 103178889
2-[2-(3-methoxypropoxy)ethyl]-3-methyl-N-propylbutan-1-amine
CID 103183296

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypropoxy)ethyl]-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-[2-(3-methoxypropoxy)ethyl]-N-propan-2-ylpentan-1-amine (CID 103183286) is 2-[2-(3-methoxypropoxy)ethyl]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-[2-(3-methoxypropoxy)ethyl]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-[2-(3-methoxypropoxy)ethyl]-N-propan-2-ylpentan-1-amine is CCCC(CCOCCCOC)CNC(C)C.
What is the InChIKey of 2-[2-(3-methoxypropoxy)ethyl]-N-propan-2-ylpentan-1-amine?
The InChIKey is AUKXRNGZQRGCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-5-7-14(12-15-13(2)3)8-11-17-10-6-9-16-4/h13-15H,5-12H2,1-4H3.
What are the key properties of 2-[2-(3-methoxypropoxy)ethyl]-N-propan-2-ylpentan-1-amine?
2-[2-(3-methoxypropoxy)ethyl]-N-propan-2-ylpentan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 2.84, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropoxy)ethyl]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 103183286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).