2-[2-(3-methoxypropoxy)ethyl]-3-methyl-N-propylbutan-1-amine

C14H31NO2 — CID 103183296

IUPAC2-[2-(3-methoxypropoxy)ethyl]-3-methyl-N-propylbutan-1-amine
SMILESCCCNCC(CCOCCCOC)C(C)C
InChIInChI=1S/C14H31NO2/c1-5-8-15-12-14(13(2)3)7-11-17-10-6-9-16-4/h13-15H,5-12H2,1-4H3
InChIKeyCIILYCVQQHMSDB-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.70
Rot. Bonds12

About 2-[2-(3-methoxypropoxy)ethyl]-3-methyl-N-propylbutan-1-amine

2-[2-(3-methoxypropoxy)ethyl]-3-methyl-N-propylbutan-1-amine (PubChem CID 103183296) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-[2-(3-methoxypropoxy)ethyl]-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-[2-(3-methoxypropoxy)ethyl]-3-methyl-N-propylbutan-1-amine
PubChem CID103183296
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name2-[2-(3-methoxypropoxy)ethyl]-3-methyl-N-propylbutan-1-amine
SMILESCCCNCC(CCOCCCOC)C(C)C
InChIInChI=1S/C14H31NO2/c1-5-8-15-12-14(13(2)3)7-11-17-10-6-9-16-4/h13-15H,5-12H2,1-4H3
InChIKeyCIILYCVQQHMSDB-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
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-butoxyethyl)-N-ethyl-3-methylbutan-1-amine
CID 62530129
N-(2-methoxyethyl)-2-propan-2-yldodecan-1-amine
CID 63503515
2-propan-2-yl-N-propylheptan-1-amine
CID 63521498
N-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine
CID 79568933
2-(4-bromophenyl)-4-(3-methoxypropoxy)-N-propylbutan-1-amine
CID 103183685
2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propylbutan-1-amine
CID 103183686
5-[2-(3-methoxypropoxy)ethoxy]-N-propylpentan-1-amine
CID 103181294
6-methoxy-N-(2-methylpropyl)-2-propan-2-ylhexan-1-amine
CID 104649184
2-(2-butoxyethyl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83138570
4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine
CID 103183665
1-(3-methoxypropoxy)-3-methylbutane
CID 18925853
3-methyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)butan-1-amine
CID 62530540

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypropoxy)ethyl]-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 2-[2-(3-methoxypropoxy)ethyl]-3-methyl-N-propylbutan-1-amine (CID 103183296) is 2-[2-(3-methoxypropoxy)ethyl]-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-[2-(3-methoxypropoxy)ethyl]-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 2-[2-(3-methoxypropoxy)ethyl]-3-methyl-N-propylbutan-1-amine is CCCNCC(CCOCCCOC)C(C)C.
What is the InChIKey of 2-[2-(3-methoxypropoxy)ethyl]-3-methyl-N-propylbutan-1-amine?
The InChIKey is CIILYCVQQHMSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-5-8-15-12-14(13(2)3)7-11-17-10-6-9-16-4/h13-15H,5-12H2,1-4H3.
What are the key properties of 2-[2-(3-methoxypropoxy)ethyl]-3-methyl-N-propylbutan-1-amine?
2-[2-(3-methoxypropoxy)ethyl]-3-methyl-N-propylbutan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 2.70, 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]-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 103183296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).