N-ethyl-6-pentoxyhexan-3-amine

C13H29NO — CID 106800895

IUPACN-ethyl-6-pentoxyhexan-3-amine
SMILESCCCCCOCCCC(CC)NCC
InChIInChI=1S/C13H29NO/c1-4-7-8-11-15-12-9-10-13(5-2)14-6-3/h13-14H,4-12H2,1-3H3
InChIKeyBJDGUAIKUKFUQT-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.36
Rot. Bonds11

About N-ethyl-6-pentoxyhexan-3-amine

N-ethyl-6-pentoxyhexan-3-amine (PubChem CID 106800895) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-ethyl-6-pentoxyhexan-3-amine.

Molecular Properties

Compound NameN-ethyl-6-pentoxyhexan-3-amine
PubChem CID106800895
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-ethyl-6-pentoxyhexan-3-amine
SMILESCCCCCOCCCC(CC)NCC
InChIInChI=1S/C13H29NO/c1-4-7-8-11-15-12-9-10-13(5-2)14-6-3/h13-14H,4-12H2,1-3H3
InChIKeyBJDGUAIKUKFUQT-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.36
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

N-ethyl-1-pentoxybutan-2-amine
CID 62038519
N-ethylnonan-3-amine
CID 60996683
1-ethoxy-N-ethylundecan-4-amine
CID 105124652
N-methyl-6-octoxyhexan-3-amine
CID 106800853
N-ethyldecan-3-amine;dihydrochloride
CID 175708733
2-(ethylamino)-4-octoxybutan-1-ol
CID 64811462
6-butoxy-N-methylhexan-3-amine
CID 61483969
N-(2-butoxyethyl)hexan-3-amine
CID 62118568
N-(2-butoxyethyl)pentan-3-amine
CID 61168899
N-ethyl-1-methoxypentadecan-4-amine
CID 105055072
N-ethyltetradecan-7-amine
CID 87847195
N-ethyldecan-5-amine
CID 79405026

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-pentoxyhexan-3-amine?
The IUPAC name of N-ethyl-6-pentoxyhexan-3-amine (CID 106800895) is N-ethyl-6-pentoxyhexan-3-amine.
What is the SMILES notation for N-ethyl-6-pentoxyhexan-3-amine?
The canonical SMILES for N-ethyl-6-pentoxyhexan-3-amine is CCCCCOCCCC(CC)NCC.
What is the InChIKey of N-ethyl-6-pentoxyhexan-3-amine?
The InChIKey is BJDGUAIKUKFUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-4-7-8-11-15-12-9-10-13(5-2)14-6-3/h13-14H,4-12H2,1-3H3.
What are the key properties of N-ethyl-6-pentoxyhexan-3-amine?
N-ethyl-6-pentoxyhexan-3-amine has a molecular weight of 215.38 g/mol, XLogP of 3.36, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-pentoxyhexan-3-amine is sourced from PubChem (CID 106800895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).