N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine

C15H30ClNO3 — CID 104567115

IUPACN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine
SMILESCCCCOCCOCCOCCN(CCCl)C1CC1
InChIInChI=1S/C15H30ClNO3/c1-2-3-9-18-11-13-20-14-12-19-10-8-17(7-6-16)15-4-5-15/h15H,2-14H2,1H3
InChIKeyOFTHQZCQBIWRCG-UHFFFAOYSA-N
MW307.86 g/mol
LogP2.54
Rot. Bonds15

About N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine

N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine (PubChem CID 104567115) has the molecular formula C15H30ClNO3 and a molecular weight of 307.86 g/mol. Its IUPAC name is N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine
PubChem CID104567115
Molecular FormulaC15H30ClNO3
Molecular Weight307.86 g/mol
Exact Mass307.19
IUPAC NameN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine
SMILESCCCCOCCOCCOCCN(CCCl)C1CC1
InChIInChI=1S/C15H30ClNO3/c1-2-3-9-18-11-13-20-14-12-19-10-8-17(7-6-16)15-4-5-15/h15H,2-14H2,1H3
InChIKeyOFTHQZCQBIWRCG-UHFFFAOYSA-N
XLogP2.54
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 52.54
H-Bond Donors ≤ 50
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)-N-(2-chloroethyl)cyclohexanamine
CID 63386914
N-(3-chloropropyl)-N-(2-propoxyethyl)cyclobutanamine
CID 106457906
N-(2-chloroethyl)-N-pentylcyclopropanamine
CID 63388032
N-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine
CID 102860799
4-N-(2-butoxyethyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112173
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-cyclopropylamino]acetic acid
CID 104564790
N-(3-pentoxypropyl)-N-propylcyclopropanamine
CID 156795180
N-(2-chloroethyl)-N-(3-methoxypropyl)cyclopropanamine
CID 63387922
N-[2-(2-chloroethoxy)ethyl]-N-ethylcyclohexanamine
CID 63665894
N-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979302
N-(3-chloropropyl)-N-[2-(3-methylbutoxy)ethyl]cyclobutanamine
CID 102860630
N-butyl-N-[2-(3-methylbutoxy)ethyl]cyclohexanamine
CID 170541781

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine?
The IUPAC name of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine (CID 104567115) is N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine.
What is the SMILES notation for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine?
The canonical SMILES for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine is CCCCOCCOCCOCCN(CCCl)C1CC1.
What is the InChIKey of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine?
The InChIKey is OFTHQZCQBIWRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30ClNO3/c1-2-3-9-18-11-13-20-14-12-19-10-8-17(7-6-16)15-4-5-15/h15H,2-14H2,1H3.
What are the key properties of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine?
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine has a molecular weight of 307.86 g/mol, XLogP of 2.54, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine is sourced from PubChem (CID 104567115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).