N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)pentan-3-amine

C16H34ClNO3 — CID 104567213

IUPACN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)pentan-3-amine
SMILESCCCCOCCOCCOCCNC(CC)(CC)CCl
InChIInChI=1S/C16H34ClNO3/c1-4-7-9-19-11-13-21-14-12-20-10-8-18-16(5-2,6-3)15-17/h18H,4-15H2,1-3H3
InChIKeyYUYHZHQOLGWCST-UHFFFAOYSA-N
MW323.91 g/mol
LogP3.22
Rot. Bonds16

About N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)pentan-3-amine

N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)pentan-3-amine (PubChem CID 104567213) has the molecular formula C16H34ClNO3 and a molecular weight of 323.91 g/mol. Its IUPAC name is N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)pentan-3-amine.

Molecular Properties

Compound NameN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)pentan-3-amine
PubChem CID104567213
Molecular FormulaC16H34ClNO3
Molecular Weight323.91 g/mol
Exact Mass323.22
IUPAC NameN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)pentan-3-amine
SMILESCCCCOCCOCCOCCNC(CC)(CC)CCl
InChIInChI=1S/C16H34ClNO3/c1-4-7-9-19-11-13-21-14-12-20-10-8-18-16(5-2,6-3)15-17/h18H,4-15H2,1-3H3
InChIKeyYUYHZHQOLGWCST-UHFFFAOYSA-N
XLogP3.22
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.91
LogP ≤ 53.22
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)-1-chloro-2-(chloromethyl)butan-2-amine
CID 107867237
N-(2-butoxyethyl)-2-methylpropan-2-amine
CID 61483179
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
CID 153390754
N-[3-[2-(2-butoxyethoxy)ethoxy]propyl]-2-methylpropan-2-amine
CID 89274543
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-chloroethoxy)propan-1-amine
CID 106306173
2-[2-(2-butoxyethoxy)ethoxy]-N-(2-iodoethyl)ethanamine
CID 114505577
1-butoxybutane;N-methylmethanamine
CID 88830911
1,10-bis(2-butoxyethoxy)decane
CID 90257337
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
N-[2-[3-[2-[2-(tert-butylamino)ethoxy]ethoxy]propoxy]ethyl]-2-methylpropan-2-amine
CID 129102277
3-(chloromethyl)-N-(3-methylbutyl)pentan-3-amine
CID 65030260

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)pentan-3-amine?
The IUPAC name of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)pentan-3-amine (CID 104567213) is N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)pentan-3-amine.
What is the SMILES notation for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)pentan-3-amine?
The canonical SMILES for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)pentan-3-amine is CCCCOCCOCCOCCNC(CC)(CC)CCl.
What is the InChIKey of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)pentan-3-amine?
The InChIKey is YUYHZHQOLGWCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34ClNO3/c1-4-7-9-19-11-13-21-14-12-20-10-8-18-16(5-2,6-3)15-17/h18H,4-15H2,1-3H3.
What are the key properties of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)pentan-3-amine?
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)pentan-3-amine has a molecular weight of 323.91 g/mol, XLogP of 3.22, 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]-3-(chloromethyl)pentan-3-amine is sourced from PubChem (CID 104567213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).