N-(2-decoxyethyl)propan-2-amine

C15H33NO — CID 63399572

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

About N-(2-decoxyethyl)propan-2-amine

N-(2-decoxyethyl)propan-2-amine (PubChem CID 63399572) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is N-(2-decoxyethyl)propan-2-amine.

Molecular Properties

Compound NameN-(2-decoxyethyl)propan-2-amine
PubChem CID63399572
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC NameN-(2-decoxyethyl)propan-2-amine
SMILESCCCCCCCCCCOCCNC(C)C
InChIInChI=1S/C15H33NO/c1-4-5-6-7-8-9-10-11-13-17-14-12-16-15(2)3/h15-16H,4-14H2,1-3H3
InChIKeyJJBPVMDXEXQIDN-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-(2-octoxyethoxy)ethyl]propan-2-amine
CID 156795483
4-pentoxy-N-propan-2-ylbutan-1-amine
CID 62449715
N-(2-octoxyethyl)pentan-2-amine
CID 55196861
N-(2-undecoxyethyl)pentan-2-amine
CID 22091507
1-methoxy-N-(2-octoxyethyl)propan-2-amine
CID 62599716
CID 159860963
CID 159860963
8-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]octane-2-thiol
CID 138728442
N-propan-2-ylicosan-1-amine
CID 87246132
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677

Frequently Asked Questions

What is the IUPAC name of N-(2-decoxyethyl)propan-2-amine?
The IUPAC name of N-(2-decoxyethyl)propan-2-amine (CID 63399572) is N-(2-decoxyethyl)propan-2-amine.
What is the SMILES notation for N-(2-decoxyethyl)propan-2-amine?
The canonical SMILES for N-(2-decoxyethyl)propan-2-amine is CCCCCCCCCCOCCNC(C)C.
What is the InChIKey of N-(2-decoxyethyl)propan-2-amine?
The InChIKey is JJBPVMDXEXQIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-4-5-6-7-8-9-10-11-13-17-14-12-16-15(2)3/h15-16H,4-14H2,1-3H3.
What are the key properties of N-(2-decoxyethyl)propan-2-amine?
N-(2-decoxyethyl)propan-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-decoxyethyl)propan-2-amine is sourced from PubChem (CID 63399572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).