N-(3-bromopropyl)-N-heptylcyclobutanamine

C14H28BrN — CID 102860068

IUPACN-(3-bromopropyl)-N-heptylcyclobutanamine
SMILESCCCCCCCN(CCCBr)C1CCC1
InChIInChI=1S/C14H28BrN/c1-2-3-4-5-6-12-16(13-8-11-15)14-9-7-10-14/h14H,2-13H2,1H3
InChIKeyROEYWRLAXHANOJ-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.60
Rot. Bonds10

About N-(3-bromopropyl)-N-heptylcyclobutanamine

N-(3-bromopropyl)-N-heptylcyclobutanamine (PubChem CID 102860068) has the molecular formula C14H28BrN and a molecular weight of 290.29 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-heptylcyclobutanamine.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-heptylcyclobutanamine
PubChem CID102860068
Molecular FormulaC14H28BrN
Molecular Weight290.29 g/mol
Exact Mass289.14
IUPAC NameN-(3-bromopropyl)-N-heptylcyclobutanamine
SMILESCCCCCCCN(CCCBr)C1CCC1
InChIInChI=1S/C14H28BrN/c1-2-3-4-5-6-12-16(13-8-11-15)14-9-7-10-14/h14H,2-13H2,1H3
InChIKeyROEYWRLAXHANOJ-UHFFFAOYSA-N
XLogP4.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-heptylcyclobutanamine?
The IUPAC name of N-(3-bromopropyl)-N-heptylcyclobutanamine (CID 102860068) is N-(3-bromopropyl)-N-heptylcyclobutanamine.
What is the SMILES notation for N-(3-bromopropyl)-N-heptylcyclobutanamine?
The canonical SMILES for N-(3-bromopropyl)-N-heptylcyclobutanamine is CCCCCCCN(CCCBr)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-N-heptylcyclobutanamine?
The InChIKey is ROEYWRLAXHANOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28BrN/c1-2-3-4-5-6-12-16(13-8-11-15)14-9-7-10-14/h14H,2-13H2,1H3.
What are the key properties of N-(3-bromopropyl)-N-heptylcyclobutanamine?
N-(3-bromopropyl)-N-heptylcyclobutanamine has a molecular weight of 290.29 g/mol, XLogP of 4.60, 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-heptylcyclobutanamine is sourced from PubChem (CID 102860068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).