N-(3-ethoxypropyl)-2-(3-methoxy-3-methylbutoxy)propan-1-amine

C14H31NO3 — CID 106668147

IUPACN-(3-ethoxypropyl)-2-(3-methoxy-3-methylbutoxy)propan-1-amine
SMILESCCOCCCNCC(C)OCCC(C)(C)OC
InChIInChI=1S/C14H31NO3/c1-6-17-10-7-9-15-12-13(2)18-11-8-14(3,4)16-5/h13,15H,6-12H2,1-5H3
InChIKeyKGTYMZQSDQVCFS-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.22
Rot. Bonds12

About N-(3-ethoxypropyl)-2-(3-methoxy-3-methylbutoxy)propan-1-amine

N-(3-ethoxypropyl)-2-(3-methoxy-3-methylbutoxy)propan-1-amine (PubChem CID 106668147) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(3-methoxy-3-methylbutoxy)propan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(3-methoxy-3-methylbutoxy)propan-1-amine
PubChem CID106668147
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC NameN-(3-ethoxypropyl)-2-(3-methoxy-3-methylbutoxy)propan-1-amine
SMILESCCOCCCNCC(C)OCCC(C)(C)OC
InChIInChI=1S/C14H31NO3/c1-6-17-10-7-9-15-12-13(2)18-11-8-14(3,4)16-5/h13,15H,6-12H2,1-5H3
InChIKeyKGTYMZQSDQVCFS-UHFFFAOYSA-N
XLogP2.22
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxy-3-methylbutoxy)propyl]butan-1-amine
CID 106668220
N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine
CID 103033107
N-(3-ethoxypropyl)-2-methoxypropan-1-amine
CID 62565576
N-[2-(2-ethoxyethoxy)propyl]pentan-1-amine
CID 62565008
N-(3-ethoxypropyl)-2,3,3-trimethylbutan-1-amine
CID 83143458
2-ethoxy-N-[3-(2-methoxyethoxy)propyl]propan-1-amine
CID 103409669
N-(2-butan-2-yloxyethyl)-3-ethoxypropan-1-amine
CID 62583430
N-(3-ethoxypropyl)-2-(4-methoxyphenoxy)propan-1-amine
CID 62571705
N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine
CID 65175065
1-N-(3-ethoxypropyl)propane-1,2-diamine
CID 62568793
2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine
CID 104567209
3-methoxy-3-methyl-N-(3-propoxypropyl)butan-1-amine
CID 103033527

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(3-methoxy-3-methylbutoxy)propan-1-amine?
The IUPAC name of N-(3-ethoxypropyl)-2-(3-methoxy-3-methylbutoxy)propan-1-amine (CID 106668147) is N-(3-ethoxypropyl)-2-(3-methoxy-3-methylbutoxy)propan-1-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(3-methoxy-3-methylbutoxy)propan-1-amine?
The canonical SMILES for N-(3-ethoxypropyl)-2-(3-methoxy-3-methylbutoxy)propan-1-amine is CCOCCCNCC(C)OCCC(C)(C)OC.
What is the InChIKey of N-(3-ethoxypropyl)-2-(3-methoxy-3-methylbutoxy)propan-1-amine?
The InChIKey is KGTYMZQSDQVCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3/c1-6-17-10-7-9-15-12-13(2)18-11-8-14(3,4)16-5/h13,15H,6-12H2,1-5H3.
What are the key properties of N-(3-ethoxypropyl)-2-(3-methoxy-3-methylbutoxy)propan-1-amine?
N-(3-ethoxypropyl)-2-(3-methoxy-3-methylbutoxy)propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.22, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(3-methoxy-3-methylbutoxy)propan-1-amine is sourced from PubChem (CID 106668147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).