N-(3-bromopropyl)-N-(2-ethylhexyl)cyclobutanamine

C15H30BrN — CID 102860192

IUPACN-(3-bromopropyl)-N-(2-ethylhexyl)cyclobutanamine
SMILESCCCCC(CC)CN(CCCBr)C1CCC1
InChIInChI=1S/C15H30BrN/c1-3-5-8-14(4-2)13-17(12-7-11-16)15-9-6-10-15/h14-15H,3-13H2,1-2H3
InChIKeyNDQBSAYMYWEZGA-UHFFFAOYSA-N
MW304.32 g/mol
LogP4.84
Rot. Bonds10

About N-(3-bromopropyl)-N-(2-ethylhexyl)cyclobutanamine

N-(3-bromopropyl)-N-(2-ethylhexyl)cyclobutanamine (PubChem CID 102860192) has the molecular formula C15H30BrN and a molecular weight of 304.32 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-(2-ethylhexyl)cyclobutanamine.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-(2-ethylhexyl)cyclobutanamine
PubChem CID102860192
Molecular FormulaC15H30BrN
Molecular Weight304.32 g/mol
Exact Mass303.16
IUPAC NameN-(3-bromopropyl)-N-(2-ethylhexyl)cyclobutanamine
SMILESCCCCC(CC)CN(CCCBr)C1CCC1
InChIInChI=1S/C15H30BrN/c1-3-5-8-14(4-2)13-17(12-7-11-16)15-9-6-10-15/h14-15H,3-13H2,1-2H3
InChIKeyNDQBSAYMYWEZGA-UHFFFAOYSA-N
XLogP4.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-N-heptylcyclobutanamine
CID 102860068
N-(2-bromoethyl)-N-pentylcyclobutanamine
CID 102860969
N-(2-bromoethyl)-N-dodecylcyclobutanamine
CID 102860890
N-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine
CID 102860799
N-(2-ethylhexyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631447
(2S)-N,N-dibutyl-2-ethylhexan-1-amine
CID 40541425
2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride
CID 23468552
2-[cyclohexyl(2-ethylbutyl)amino]ethanol
CID 82930046
N-(2-bromoethyl)-N-cyclobutyl-2-ethylhexanamide
CID 102873018
N-butyl-N-[2-(3-methylbutoxy)ethyl]cyclohexanamine
CID 170541781
1,1,2,2-tetrakis(2-ethylhexyl)hydrazine
CID 123650144
N-(2-chloroethyl)-N,2-diethylhexan-1-amine
CID 63386988

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-(2-ethylhexyl)cyclobutanamine?
The IUPAC name of N-(3-bromopropyl)-N-(2-ethylhexyl)cyclobutanamine (CID 102860192) is N-(3-bromopropyl)-N-(2-ethylhexyl)cyclobutanamine.
What is the SMILES notation for N-(3-bromopropyl)-N-(2-ethylhexyl)cyclobutanamine?
The canonical SMILES for N-(3-bromopropyl)-N-(2-ethylhexyl)cyclobutanamine is CCCCC(CC)CN(CCCBr)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-N-(2-ethylhexyl)cyclobutanamine?
The InChIKey is NDQBSAYMYWEZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30BrN/c1-3-5-8-14(4-2)13-17(12-7-11-16)15-9-6-10-15/h14-15H,3-13H2,1-2H3.
What are the key properties of N-(3-bromopropyl)-N-(2-ethylhexyl)cyclobutanamine?
N-(3-bromopropyl)-N-(2-ethylhexyl)cyclobutanamine has a molecular weight of 304.32 g/mol, XLogP of 4.84, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-(2-ethylhexyl)cyclobutanamine is sourced from PubChem (CID 102860192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).