N-(3-chloropropyl)-N-[2-(3-methylbutoxy)ethyl]cyclobutanamine

C14H28ClNO — CID 102860630

IUPACN-(3-chloropropyl)-N-[2-(3-methylbutoxy)ethyl]cyclobutanamine
SMILESCC(C)CCOCCN(CCCCl)C1CCC1
InChIInChI=1S/C14H28ClNO/c1-13(2)7-11-17-12-10-16(9-4-8-15)14-5-3-6-14/h13-14H,3-12H2,1-2H3
InChIKeyPBCMGQOXWPGJIW-UHFFFAOYSA-N
MW261.84 g/mol
LogP3.53
Rot. Bonds10

About N-(3-chloropropyl)-N-[2-(3-methylbutoxy)ethyl]cyclobutanamine

N-(3-chloropropyl)-N-[2-(3-methylbutoxy)ethyl]cyclobutanamine (PubChem CID 102860630) has the molecular formula C14H28ClNO and a molecular weight of 261.84 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-[2-(3-methylbutoxy)ethyl]cyclobutanamine.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-[2-(3-methylbutoxy)ethyl]cyclobutanamine
PubChem CID102860630
Molecular FormulaC14H28ClNO
Molecular Weight261.84 g/mol
Exact Mass261.19
IUPAC NameN-(3-chloropropyl)-N-[2-(3-methylbutoxy)ethyl]cyclobutanamine
SMILESCC(C)CCOCCN(CCCCl)C1CCC1
InChIInChI=1S/C14H28ClNO/c1-13(2)7-11-17-12-10-16(9-4-8-15)14-5-3-6-14/h13-14H,3-12H2,1-2H3
InChIKeyPBCMGQOXWPGJIW-UHFFFAOYSA-N
XLogP3.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.84
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-butyl-N-[2-(3-methylbutoxy)ethyl]cyclohexanamine
CID 170541781
N-(3-chloropropyl)-N-(2-propoxyethyl)cyclobutanamine
CID 106457906
N-[3-(4-methylpentoxy)propyl]-N-(2-methylpropyl)cyclopropanamine
CID 138728540
N-(2-butoxyethyl)-N-(2-chloroethyl)cyclohexanamine
CID 63386914
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine
CID 104567115
N-[2-(2-chloroethoxy)ethyl]-N-ethylcyclohexanamine
CID 63665894
N-(2-chloroethyl)-N-[2-(3-methylbutoxy)ethyl]butan-1-amine
CID 63389719
2-[3-chloropropyl(cyclopentyl)amino]ethanol
CID 55208194
[1-chloro-4-(3-methylbutoxy)butyl]cyclopropane
CID 63358311
N-(2-chloroethyl)-N-(3-methoxypropyl)cyclopropanamine
CID 63387922
N-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine
CID 102860799
N-(5-methylhexyl)-N-propylcyclohexanamine
CID 167070487

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-[2-(3-methylbutoxy)ethyl]cyclobutanamine?
The IUPAC name of N-(3-chloropropyl)-N-[2-(3-methylbutoxy)ethyl]cyclobutanamine (CID 102860630) is N-(3-chloropropyl)-N-[2-(3-methylbutoxy)ethyl]cyclobutanamine.
What is the SMILES notation for N-(3-chloropropyl)-N-[2-(3-methylbutoxy)ethyl]cyclobutanamine?
The canonical SMILES for N-(3-chloropropyl)-N-[2-(3-methylbutoxy)ethyl]cyclobutanamine is CC(C)CCOCCN(CCCCl)C1CCC1.
What is the InChIKey of N-(3-chloropropyl)-N-[2-(3-methylbutoxy)ethyl]cyclobutanamine?
The InChIKey is PBCMGQOXWPGJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28ClNO/c1-13(2)7-11-17-12-10-16(9-4-8-15)14-5-3-6-14/h13-14H,3-12H2,1-2H3.
What are the key properties of N-(3-chloropropyl)-N-[2-(3-methylbutoxy)ethyl]cyclobutanamine?
N-(3-chloropropyl)-N-[2-(3-methylbutoxy)ethyl]cyclobutanamine has a molecular weight of 261.84 g/mol, XLogP of 3.53, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-[2-(3-methylbutoxy)ethyl]cyclobutanamine is sourced from PubChem (CID 102860630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).