N-(2-octoxyethyl)pentan-2-amine

C15H33NO — CID 55196861

IUPACN-(2-octoxyethyl)pentan-2-amine
SMILESCCCCCCCCOCCNC(C)CCC
InChIInChI=1S/C15H33NO/c1-4-6-7-8-9-10-13-17-14-12-16-15(3)11-5-2/h15-16H,4-14H2,1-3H3
InChIKeyFSXGUVWSGODAMD-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.14
Rot. Bonds13

About N-(2-octoxyethyl)pentan-2-amine

N-(2-octoxyethyl)pentan-2-amine (PubChem CID 55196861) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is N-(2-octoxyethyl)pentan-2-amine.

Molecular Properties

Compound NameN-(2-octoxyethyl)pentan-2-amine
PubChem CID55196861
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC NameN-(2-octoxyethyl)pentan-2-amine
SMILESCCCCCCCCOCCNC(C)CCC
InChIInChI=1S/C15H33NO/c1-4-6-7-8-9-10-13-17-14-12-16-15(3)11-5-2/h15-16H,4-14H2,1-3H3
InChIKeyFSXGUVWSGODAMD-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.14
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-undecoxyethyl)pentan-2-amine
CID 22091507
1-methoxy-N-(2-octoxyethyl)propan-2-amine
CID 62599716
N-(2-decoxyethyl)propan-2-amine
CID 63399572
N-[2-(2-octoxyethoxy)ethyl]propan-2-amine
CID 156795483
N-(3-propoxypropyl)pentan-2-amine
CID 82940850
2-[2-[[(2S)-octan-2-yl]amino]ethoxy]ethanol
CID 29007498
4-bromo-N-(2-butoxyethyl)butan-2-amine
CID 83186631
N-(2-butoxyethyl)-4-chlorobutan-2-amine
CID 83186904
N-pentan-2-ylheptan-1-amine
CID 43129169
N-[2-(3-methoxypropoxy)ethyl]hexan-2-amine
CID 103178889
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-chloropentan-2-amine
CID 104567239
N-butylundecan-2-amine
CID 90035852

Frequently Asked Questions

What is the IUPAC name of N-(2-octoxyethyl)pentan-2-amine?
The IUPAC name of N-(2-octoxyethyl)pentan-2-amine (CID 55196861) is N-(2-octoxyethyl)pentan-2-amine.
What is the SMILES notation for N-(2-octoxyethyl)pentan-2-amine?
The canonical SMILES for N-(2-octoxyethyl)pentan-2-amine is CCCCCCCCOCCNC(C)CCC.
What is the InChIKey of N-(2-octoxyethyl)pentan-2-amine?
The InChIKey is FSXGUVWSGODAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-4-6-7-8-9-10-13-17-14-12-16-15(3)11-5-2/h15-16H,4-14H2,1-3H3.
What are the key properties of N-(2-octoxyethyl)pentan-2-amine?
N-(2-octoxyethyl)pentan-2-amine has a molecular weight of 243.43 g/mol, XLogP of 4.14, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-octoxyethyl)pentan-2-amine is sourced from PubChem (CID 55196861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).