N-(2-butoxyethyl)pentan-3-amine

C11H25NO — CID 61168899

IUPACN-(2-butoxyethyl)pentan-3-amine
SMILESCCCCOCCNC(CC)CC
InChIInChI=1S/C11H25NO/c1-4-7-9-13-10-8-12-11(5-2)6-3/h11-12H,4-10H2,1-3H3
InChIKeyXAAJYQILJAQZLN-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.58
Rot. Bonds9

About N-(2-butoxyethyl)pentan-3-amine

N-(2-butoxyethyl)pentan-3-amine (PubChem CID 61168899) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-(2-butoxyethyl)pentan-3-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)pentan-3-amine
PubChem CID61168899
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-(2-butoxyethyl)pentan-3-amine
SMILESCCCCOCCNC(CC)CC
InChIInChI=1S/C11H25NO/c1-4-7-9-13-10-8-12-11(5-2)6-3/h11-12H,4-10H2,1-3H3
InChIKeyXAAJYQILJAQZLN-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.58
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-(2-butoxyethyl)hexan-3-amine
CID 62118568
N-(3-butoxypropyl)heptan-4-amine
CID 115676243
N-(2-butoxyethyl)-3-methoxybutan-2-amine
CID 115714563
N-[2-(2-butoxyethoxy)ethyl]-3-methylbutan-2-amine
CID 62598326
N-[3-(2-methoxyethoxy)propyl]pentan-3-amine
CID 28720947
2-(2-butoxyethylamino)butanoic acid
CID 64667576
6-butoxy-N-methylhexan-3-amine
CID 61483969
2-[2-(heptan-3-ylamino)ethoxy]acetamide
CID 106235405
N-ethyl-6-pentoxyhexan-3-amine
CID 106800895
N-[4-(2-methoxyethoxy)butyl]pentan-3-amine
CID 115715449
2-(2-butoxyethylamino)propan-1-ol
CID 61483425
1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine
CID 115712453

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)pentan-3-amine?
The IUPAC name of N-(2-butoxyethyl)pentan-3-amine (CID 61168899) is N-(2-butoxyethyl)pentan-3-amine.
What is the SMILES notation for N-(2-butoxyethyl)pentan-3-amine?
The canonical SMILES for N-(2-butoxyethyl)pentan-3-amine is CCCCOCCNC(CC)CC.
What is the InChIKey of N-(2-butoxyethyl)pentan-3-amine?
The InChIKey is XAAJYQILJAQZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-4-7-9-13-10-8-12-11(5-2)6-3/h11-12H,4-10H2,1-3H3.
What are the key properties of N-(2-butoxyethyl)pentan-3-amine?
N-(2-butoxyethyl)pentan-3-amine has a molecular weight of 187.33 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)pentan-3-amine is sourced from PubChem (CID 61168899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).