N-(2-undecoxyethyl)pentan-2-amine

C18H39NO — CID 22091507

IUPACN-(2-undecoxyethyl)pentan-2-amine
SMILESCCCCCCCCCCCOCCNC(C)CCC
InChIInChI=1S/C18H39NO/c1-4-6-7-8-9-10-11-12-13-16-20-17-15-19-18(3)14-5-2/h18-19H,4-17H2,1-3H3
InChIKeyWEZXIWXNGBINQI-UHFFFAOYSA-N
MW285.52 g/mol
LogP5.31
Rot. Bonds16

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

N-(2-undecoxyethyl)pentan-2-amine (PubChem CID 22091507) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is N-(2-undecoxyethyl)pentan-2-amine.

Molecular Properties

Compound NameN-(2-undecoxyethyl)pentan-2-amine
PubChem CID22091507
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC NameN-(2-undecoxyethyl)pentan-2-amine
SMILESCCCCCCCCCCCOCCNC(C)CCC
InChIInChI=1S/C18H39NO/c1-4-6-7-8-9-10-11-12-13-16-20-17-15-19-18(3)14-5-2/h18-19H,4-17H2,1-3H3
InChIKeyWEZXIWXNGBINQI-UHFFFAOYSA-N
XLogP5.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.52
LogP ≤ 55.31
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-octoxyethyl)pentan-2-amine
CID 55196861
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-undecoxyethyl)pentan-2-amine?
The IUPAC name of N-(2-undecoxyethyl)pentan-2-amine (CID 22091507) is N-(2-undecoxyethyl)pentan-2-amine.
What is the SMILES notation for N-(2-undecoxyethyl)pentan-2-amine?
The canonical SMILES for N-(2-undecoxyethyl)pentan-2-amine is CCCCCCCCCCCOCCNC(C)CCC.
What is the InChIKey of N-(2-undecoxyethyl)pentan-2-amine?
The InChIKey is WEZXIWXNGBINQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO/c1-4-6-7-8-9-10-11-12-13-16-20-17-15-19-18(3)14-5-2/h18-19H,4-17H2,1-3H3.
What are the key properties of N-(2-undecoxyethyl)pentan-2-amine?
N-(2-undecoxyethyl)pentan-2-amine has a molecular weight of 285.52 g/mol, XLogP of 5.31, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-undecoxyethyl)pentan-2-amine is sourced from PubChem (CID 22091507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).