1-[2-(2-butoxyethoxy)ethoxy]hexan-3-amine

C14H31NO3 — CID 104568410

IUPAC1-[2-(2-butoxyethoxy)ethoxy]hexan-3-amine
SMILESCCCCOCCOCCOCCC(N)CCC
InChIInChI=1S/C14H31NO3/c1-3-5-8-16-10-12-18-13-11-17-9-7-14(15)6-4-2/h14H,3-13,15H2,1-2H3
InChIKeyGFLGLYIQWPEAIJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.35
Rot. Bonds14

About 1-[2-(2-butoxyethoxy)ethoxy]hexan-3-amine

1-[2-(2-butoxyethoxy)ethoxy]hexan-3-amine (PubChem CID 104568410) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[2-(2-butoxyethoxy)ethoxy]hexan-3-amine.

Molecular Properties

Compound Name1-[2-(2-butoxyethoxy)ethoxy]hexan-3-amine
PubChem CID104568410
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC Name1-[2-(2-butoxyethoxy)ethoxy]hexan-3-amine
SMILESCCCCOCCOCCOCCC(N)CCC
InChIInChI=1S/C14H31NO3/c1-3-5-8-16-10-12-18-13-11-17-9-7-14(15)6-4-2/h14H,3-13,15H2,1-2H3
InChIKeyGFLGLYIQWPEAIJ-UHFFFAOYSA-N
XLogP2.35
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.35
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

1-(3-aminoundecoxy)undecan-3-amine
CID 141300494
1-(3-aminoheptadecoxy)heptadecan-3-amine
CID 141308840
1-amino-3-butoxypropan-1-ol
CID 57047625
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylpentan-2-amine
CID 104564633
2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine
CID 22901827
(3S)-1-(2,2-difluoroethoxy)hexan-3-amine
CID 103151205
1-(2-butoxyethoxy)-3-methoxypropan-2-amine
CID 107506709
1-heptoxypentan-2-amine
CID 62044754
2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid
CID 104563512
2-amino-4-(2-butoxyethoxy)butanoic acid
CID 63040016
ethyl 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoate
CID 104563527

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butoxyethoxy)ethoxy]hexan-3-amine?
The IUPAC name of 1-[2-(2-butoxyethoxy)ethoxy]hexan-3-amine (CID 104568410) is 1-[2-(2-butoxyethoxy)ethoxy]hexan-3-amine.
What is the SMILES notation for 1-[2-(2-butoxyethoxy)ethoxy]hexan-3-amine?
The canonical SMILES for 1-[2-(2-butoxyethoxy)ethoxy]hexan-3-amine is CCCCOCCOCCOCCC(N)CCC.
What is the InChIKey of 1-[2-(2-butoxyethoxy)ethoxy]hexan-3-amine?
The InChIKey is GFLGLYIQWPEAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3/c1-3-5-8-16-10-12-18-13-11-17-9-7-14(15)6-4-2/h14H,3-13,15H2,1-2H3.
What are the key properties of 1-[2-(2-butoxyethoxy)ethoxy]hexan-3-amine?
1-[2-(2-butoxyethoxy)ethoxy]hexan-3-amine has a molecular weight of 261.41 g/mol, XLogP of 2.35, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butoxyethoxy)ethoxy]hexan-3-amine is sourced from PubChem (CID 104568410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).