3-methyl-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]cyclopentan-1-amine

C17H31NO4 — CID 135211010

IUPAC3-methyl-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]cyclopentan-1-amine
SMILESC#CCOCCOCCOCCOCCNC1CCC(C)C1
InChIInChI=1S/C17H31NO4/c1-3-7-19-9-11-21-13-14-22-12-10-20-8-6-18-17-5-4-16(2)15-17/h1,16-18H,4-15H2,2H3
InChIKeyWKSWTVGAEWZFGZ-UHFFFAOYSA-N
MW313.44 g/mol
LogP1.46
Rot. Bonds14

About 3-methyl-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]cyclopentan-1-amine

3-methyl-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]cyclopentan-1-amine (PubChem CID 135211010) has the molecular formula C17H31NO4 and a molecular weight of 313.44 g/mol. Its IUPAC name is 3-methyl-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]cyclopentan-1-amine
PubChem CID135211010
Molecular FormulaC17H31NO4
Molecular Weight313.44 g/mol
Exact Mass313.23
IUPAC Name3-methyl-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]cyclopentan-1-amine
SMILESC#CCOCCOCCOCCOCCNC1CCC(C)C1
InChIInChI=1S/C17H31NO4/c1-3-7-19-9-11-21-13-14-22-12-10-20-8-6-18-17-5-4-16(2)15-17/h1,16-18H,4-15H2,2H3
InChIKeyWKSWTVGAEWZFGZ-UHFFFAOYSA-N
XLogP1.46
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]cyclopentan-1-amine?
The IUPAC name of 3-methyl-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]cyclopentan-1-amine (CID 135211010) is 3-methyl-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]cyclopentan-1-amine?
The canonical SMILES for 3-methyl-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]cyclopentan-1-amine is C#CCOCCOCCOCCOCCNC1CCC(C)C1.
What is the InChIKey of 3-methyl-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]cyclopentan-1-amine?
The InChIKey is WKSWTVGAEWZFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO4/c1-3-7-19-9-11-21-13-14-22-12-10-20-8-6-18-17-5-4-16(2)15-17/h1,16-18H,4-15H2,2H3.
What are the key properties of 3-methyl-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]cyclopentan-1-amine?
3-methyl-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]cyclopentan-1-amine has a molecular weight of 313.44 g/mol, XLogP of 1.46, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]cyclopentan-1-amine is sourced from PubChem (CID 135211010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).