N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-chloropentan-2-amine

C15H32ClNO3 — CID 104567239

IUPACN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-chloropentan-2-amine
SMILESCCCCOCCOCCOCCNC(C)CCCCl
InChIInChI=1S/C15H32ClNO3/c1-3-4-9-18-11-13-20-14-12-19-10-8-17-15(2)6-5-7-16/h15,17H,3-14H2,1-2H3
InChIKeyLDMDWKKGASVYNP-UHFFFAOYSA-N
MW309.88 g/mol
LogP2.83
Rot. Bonds16

About N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-chloropentan-2-amine

N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-chloropentan-2-amine (PubChem CID 104567239) has the molecular formula C15H32ClNO3 and a molecular weight of 309.88 g/mol. Its IUPAC name is N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-chloropentan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-chloropentan-2-amine
PubChem CID104567239
Molecular FormulaC15H32ClNO3
Molecular Weight309.88 g/mol
Exact Mass309.21
IUPAC NameN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-chloropentan-2-amine
SMILESCCCCOCCOCCOCCNC(C)CCCCl
InChIInChI=1S/C15H32ClNO3/c1-3-4-9-18-11-13-20-14-12-19-10-8-17-15(2)6-5-7-16/h15,17H,3-14H2,1-2H3
InChIKeyLDMDWKKGASVYNP-UHFFFAOYSA-N
XLogP2.83
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-butoxyethyl)-4-chlorobutan-2-amine
CID 83186904
4-bromo-N-(2-butoxyethyl)butan-2-amine
CID 83186631
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-chloro-4-methylpentan-3-amine
CID 106353840
N-[2-(3-methoxypropoxy)ethyl]hexan-2-amine
CID 103178889
N-(2-octoxyethyl)pentan-2-amine
CID 55196861
N-(2-undecoxyethyl)pentan-2-amine
CID 22091507
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-ethoxypropan-2-amine
CID 104562069
2-(2-butoxyethylamino)propan-1-ol
CID 61483425
4-chloro-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine
CID 103184040
2-[2-[[(2S)-octan-2-yl]amino]ethoxy]ethanol
CID 29007498
N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine
CID 62199109
N-[2-(2-butoxyethoxy)ethyl]-3-methylbutan-2-amine
CID 62598326

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-chloropentan-2-amine?
The IUPAC name of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-chloropentan-2-amine (CID 104567239) is N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-chloropentan-2-amine.
What is the SMILES notation for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-chloropentan-2-amine?
The canonical SMILES for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-chloropentan-2-amine is CCCCOCCOCCOCCNC(C)CCCCl.
What is the InChIKey of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-chloropentan-2-amine?
The InChIKey is LDMDWKKGASVYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32ClNO3/c1-3-4-9-18-11-13-20-14-12-19-10-8-17-15(2)6-5-7-16/h15,17H,3-14H2,1-2H3.
What are the key properties of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-chloropentan-2-amine?
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-chloropentan-2-amine has a molecular weight of 309.88 g/mol, XLogP of 2.83, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-chloropentan-2-amine is sourced from PubChem (CID 104567239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).